pdb_code stringlengths 4 4 | release_date stringdate 1991-10-15 00:00:00 2026-01-28 00:00:00 | classification stringclasses 1 value | chains stringlengths 61 5.01k | formula_weight float64 387 271k | symmetry stringclasses 66 values | crystal_structure(a|b|c|alpha|beta|gamma) stringlengths 5 45 | exptl_method stringclasses 6 values | synthesis_comment stringclasses 73 values | authors stringlengths 7 521 ⌀ | publication stringlengths 15 254 | publication_ref(doi|pubmed|csd|issn|astm) stringlengths 4 62 | publication_country stringclasses 9 values | subtitle stringlengths 6 213 | tags stringlengths 9 287 | sequence_related_designs_above_50_bits stringlengths 8 1.39k ⌀ | sequence_related_natural_proteins_above_50_bits stringlengths 8 115k ⌀ | structure_related_designs_above_95_lddt stringlengths 7 1.13k ⌀ | structure_related_natural_above_95_lddt stringclasses 247 values | highest_sequence_related_design stringlengths 7 10 ⌀ | highest_sequence_related_natural_protein stringlengths 8 10 ⌀ | highest_structure_related_design stringlengths 7 18 ⌀ | highest_structure_related_natural_protein stringlengths 7 18 ⌀ | cath_full stringlengths 9 3.45k ⌀ | data_curation_comments stringclasses 3 values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1abz | 1998-02-04 | other | id:A;type:U;source:unknown;length:40;seq_nat:XDWLKARVEQELQALEARGTDSNAELRAMEAKLKAEIQKX;seq_unnat:(SIN)DWLKARVEQELQALEARGTDSNAELRAMEAKLKAEIQK(NH2) | 4,446.004 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | null | Y. Fezoui;P.J. Connolly;J.J. Osterhout | "Solution structure of alpha t alpha, a helical hairpin peptide of de novo design", Protein Sci., 6, 1869-1877 | |9300486|0795|0961-8368|PRCIEI | US | Alpha-t-alpha, a de novo designed peptide, nmr, 23 structures | de novo design;helix-turn-helix | null | null | null | null | null | null | 6z0l(0.6708999872) | null | 6.10.140.1560;6.10.140.2110;1.10.287.190;6.10.140.2050;1.10.287.1060;1.10.12.10;6.10.250.2850;6.10.140.1390;6.10.20.80;1.10.287.2460;1.10.287.1090;4.10.860.10 | null |
1al1 | 1991-10-15 | other | id:A;type:U;source:unknown;length:13;seq_nat:XELLKKLLEELKG;seq_unnat:(ACE)ELLKKLLEELKG | 1,441.775 | I 41 3 2 | 62.350|62.350|62.350|90.00|90.00|90.00 | X-RAY DIFFRACTION | The peptide was chemically synthesized | C.P. Hill;D.H. Anderson;L. Wesson;W.F. DeGrado;D. Eisenberg | "Crystal structure of alpha 1: implications for protein design", Science, 249, 543-546 | |2382133|0038|0036-8075|SCIEAS | US | Crystal structure of alpha1: implications for protein design | synthetic protein model | null | null | null | null | 1al1(0) | null | 9rwq(0.8385999799) | null | 6.10.250.1960;4.10.180.60;6.10.250.400;1.20.5.640;4.10.180.10;6.10.250.1560;6.10.250.1110 | null |
1bb1 | 1999-02-02 | other | id:A;type:D;source:synthetic construct;length:36;seq_nat:XAEIAAIEYEQAAIKEEIAAIKDKIAAIKEYIAAIX;seq_unnat:(ACE)AEIAAIEYEQAAIKEEIAAIKDKIAAIKEYIAAI(NH2)|id:B;type:U;source:unknown;length:36;seq_nat:XEKIAAIKEEQAAIEEEIQAIKEEIAAIKYLIAQIX;seq_unnat:(ACE)EKIAAIKEEQAAIEEEIQAIKEEIAAIKYLIAQI(NH2)|id:C;type:U;source:unknown;length:36;seq_nat:XAEIAAIKYKQAAIKNEIAAIKQEIAAIEQMIAAIX;seq_unnat:(ACE)AEIAAIKYKQAAIKNEIAAIKQEIAAIEQMIAAI(NH2) | 3,703.303 | P 1 21 1 | 21.930|35.010|66.460|90.00|93.70|90.00 | X-RAY DIFFRACTION | null | S. Nautiyal;T. Alber | "Crystal structure of a designed, thermostable, heterotrimeric coiled coil", Protein Sci., 8, 84-90 | |10210186|0795|0961-8368|PRCIEI | US | Crystal structure of a designed, thermostable heterotrimeric coiled coil | de novo protein design;coiled coil | null | null | 8vhs(0.9581000209) | null | 1bb1(0) | null | 8vhs(0.9581000209) | null | 6.10.250.770;1.20.5.420;6.10.250.2070;1.20.5.430;6.10.250.810;1.20.5.1450;1.20.5.750;1.20.5.700;6.10.250.2150;6.10.250.200;6.10.250.2720;1.10.287.210;6.10.250.2060;6.10.250.1090;6.10.250.270;6.10.250.110;1.20.5.520;6.10.250.1020;6.10.250.1440;6.10.250.10;1.20.5.1610;6.10.250.950;6.10.250.850;6.10.250.380;1.20.5.110;1.20.5.250;1.20.5.160;1.20.5.580;1.20.5.460;1.20.890.10;6.10.250.1920;1.20.5.740;6.10.250.450;1.20.5.170;6.10.250.2550;6.10.250.860;1.20.5.100;1.20.5.2440;6.10.250.2270;1.20.5.440;6.10.250.2250;1.20.5.70;1.20.5.510;6.10.250.2580;6.10.250.2000;1.20.5.1190;1.20.5.490;6.10.250.1140;1.20.5.220;1.20.5.590;1.20.5.140;6.10.250.2330;1.10.287.10 | null |
1byz | 1998-10-28 | other | id:A,B,C,D;type:U;source:unknown;length:13;seq_nat:XELLKKLLEELKG;seq_unnat:(ACE)ELLKKLLEELKG | 1,441.775 | P 1 | 20.846|20.909|27.057|102.40|95.33|119.62 | X-RAY DIFFRACTION | null | G.G. Prive;D.H. Anderson;L. Wesson;D. Cascio;D. Eisenberg | "Packed protein bilayers in the 0.90 A resolution structure of a designed alpha helical bundle", Protein Sci., 8, 1400-1409 | |10422828|0795|0961-8368|PRCIEI | US | Designed peptide alpha-1, p1 form | de novo protein;helical bilayer; biomaterial | null | null | 3al1(1) | null | 1byz(0) | null | 3al1(1) | null | null | null |
1coi | 1997-02-12 | other | id:A;type:D;source:synthetic construct;length:31;seq_nat:XEVEALEKKVAALESKVQALEKKVEALEHGX;seq_unnat:(ACE)EVEALEKKVAALESKVQALEKKVEALEHG(NH2) | 3,206.705 | P 3 2 1 | 33.600|33.600|40.530|90.00|90.00|120.00 | X-RAY DIFFRACTION | null | N.L. Ogihara;M.S. Weiss;W.F. Degrado;D. Eisenberg | "The crystal structure of the designed trimeric coiled coil coil-VaLd: implications for engineering crystals and supramolecular assemblies", Protein Sci., 6, 80-88 | |9007979|0795|0961-8368|PRCIEI | US | Designed trimeric coiled coil-vald | alpha-helical bundle;coiled coil design;protein design | 6v5i(51) | null | 5uxt(0.9641000032);6ov9(0.9582999945);6osd(0.9613000154);6u47(0.9602000117);6v57(0.961499989);6v5i(0.9653999805);6v5j(0.9642999768);6v4y(0.9599000216);6os8(0.965200007);6ovu(0.965200007);6v50(0.9642000198);6ovv(0.9603000283);6ovs(0.9623000026);6q1w(0.961499989);6q22(0.9599999785);6q25(0.9508000016);6v58(0.9625999928);6v5g(0.9562000036);3pbj(0.9639999866);2jgo(0.9585999846);3h5f(0.9600999951);3h5g(0.9581000209);5k92(0.9617000222);5u9t(0.9653999805);1cos(0.9557999969);3ljm(0.9627000093);2x6p(0.959100008);5u9u(0.9602000117) | null | 6v5i(51) | null | 6v5i(0.9653999805) | null | 6.10.250.770;1.20.5.420;1.20.5.2620;1.20.5.770;1.20.5.1450;6.10.250.500;6.10.250.2150;6.10.250.200;6.10.250.880;1.20.5.3960;6.10.250.2060;6.10.250.1090;6.10.250.2370;6.10.250.1210;6.10.250.1020;6.10.250.1440;6.10.250.80;6.10.250.850;6.10.250.160;6.10.250.490;1.20.5.110;6.10.250.30;1.20.5.460;1.20.5.740;1.20.5.170;1.20.5.100;6.10.250.2270;1.20.5.70;1.20.5.510;6.10.250.2580;6.10.250.3070;1.20.5.220;6.10.250.270;6.10.250.410;1.20.5.590;1.20.5.140 | null |
1cos | 1993-10-31 | other | id:A,B,C;type:U;source:unknown;length:31;seq_nat:XEWEALEKKLAALESKLQALEKKLEALEHGX;seq_unnat:(ACE)EWEALEKKLAALESKLQALEKKLEALEHG(NH2) | 3,335.865 | P 21 21 21 | 27.700|38.700|77.800|90.00|90.00|90.00 | X-RAY DIFFRACTION | null | B. Lovejoy;S. Choe;D. Cascio;D.K. McRorie;W.F. DeGrado;D. Eisenberg | "Crystal structure of a synthetic triple-stranded alpha-helical bundle", Science, 259, 1288-1293 | |8446897|0038|0036-8075|SCIEAS | US | Crystal structure of a synthetic triple-stranded alpha-helical bundle | alpha-helical bundle | null | null | 5u9u(0.9886999726);2x6p(0.9828000069);2jgo(0.9879000187);3h5f(0.9897000194);3ljm(0.9912999868);5k92(0.9908999801);3h5g(0.9864000082);3pbj(0.9718000293);5u9t(0.9886000156);6egn(0.9532999992);5uxt(0.9796000123);6v5i(0.9854999781);6v5j(0.9865000248);6osd(0.9824000001);6q1w(0.9836999774);6v57(0.9848999977);6ovv(0.9829000235);6v5g(0.9860000014);6u47(0.9772999883);6v4y(0.9810000062);6os8(0.9815000296);6ovu(0.9825000167);6v50(0.9818999767);6ovs(0.9797999859);6q22(0.9772999883);6v58(0.9835000038);6ov9(0.9797000289);6q25(0.9797000289);5vte(0.9872000217);3r3k(0.9803000093);1coi(0.9571999907);1fmh(0.9527999759) | null | null | null | 3ljm(0.9912999868) | null | 6.10.250.770;1.20.5.420;1.20.5.430;1.20.5.2620;1.20.5.1450;1.20.5.700;6.10.250.500;6.10.250.200;6.10.250.2150;6.10.250.880;6.10.250.270;1.20.5.3960;6.10.250.2060;6.10.250.1090;6.10.250.2370;6.10.250.2720;6.10.250.1210;1.20.5.470;6.10.250.1020;6.10.250.1440;6.10.250.10;1.20.5.1610;6.10.250.160;6.10.250.850;6.10.250.490;6.10.250.380;1.20.5.110;1.20.5.250;6.10.250.3290;6.10.250.30;1.20.5.460;1.20.5.740;6.10.250.450;1.20.5.170;6.10.250.860;1.20.5.100;6.10.250.2270;6.10.250.2250;1.20.5.70;1.20.5.510;6.10.250.1330;6.10.250.2580;6.10.250.320;6.10.250.3070;1.20.5.1190;1.20.5.220;6.10.250.410;1.20.5.590;1.20.5.140;6.10.250.2330 | null |
1djf | 1999-12-10 | other | id:A;type:U;source:unknown;length:15;seq_nat:QAPAYKKAAKKLAES;seq_unnat:QAPAYKKAAKKLAES | 1,607.89 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | This model peptide was chemically synthesized | R. Montserret;M.J. McLeish;A. Bockmann;C. Geourjon;F. Penin | "Involvement of electrostatic interactions in the mechanism of peptide folding induced by sodium dodecyl sulfate binding", Biochemistry, 39, 8362-8373 | 10.1021/bi000208x|10913242|0033|0006-2960|BICHAW | US | Nmr structure of a model hydrophilic amphipathic helical basic peptide | de novo protein;hydrophilic amphipathic basic helix peptide model | null | null | null | null | null | null | 1djf(0) | null | null | null |
1e0m | 2000-04-20 | other | id:A;type:D;source:SYNTHETIC CONSTRUCT;length:37;seq_nat:SMGLPPGWDEYKTHNGKTYYYNHNTKTSTWTDPRMSS;seq_unnat:SMGLPPGWDEYKTHNGKTYYYNHNTKTSTWTDPRMSS | 4,358.737 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | null | M.J. Macias;V. Gervais;C. Civera;H. Oschkinat | "Structural Analysis of Ww Domains and Design of a Ww Prototype", Nat.Struct.Biol., 7, 375 | 10.1038/75144|10802733|2024|1072-8368|NSBIEW | US | Prototype ww domain | wwprototype;de novo protein;sh3 prototype;protein design | null | null | null | null | 8qtq(45) | 1e0l(44) | 1ymz(0.7221000195) | 1pin(0.7070999742) | 2.20.70.10;2.20.25.10 | null |
1ec5 | 2000-07-26 | other | id:A,B,C;type:U;source:unknown;length:50;seq_nat:XDYLRELLKLELQLIKQYREALEYVKLPVLAKILEDEEKHIEWLETILGX;seq_unnat:(ACE)DYLRELLKLELQLIKQYREALEYVKLPVLAKILEDEEKHIEWLETILG(NH2) | 5,870.894 | C 2 2 21 | 36.070|89.160|79.890|90.00|90.00|90.00 | X-RAY DIFFRACTION | De novo protein design | A. Lombardi;C.M. Summa;S. Geremia;L. Randaccio;V. Pavone;W.F. DeGrado | "Inaugural article: retrostructural analysis of metalloproteins: application to the design of a minimal model for diiron proteins", Proc.Natl.Acad.Sci.USA, 97, 6298-6305 | 10.1073/pnas.97.12.6298|10841536|0040|0027-8424|PNASA6 | US | Crystal structure of four-helix bundle model | alpha-helical bundle;de novo protein;protein design | null | null | 1jm0(0.9789000154);1lt1(0.9657999873);1jmb(0.9772999883);1ovv(0.9616000056);1ovu(0.9552999735) | null | null | null | 1jm0(0.9789000154) | 8qie(0.9108999968) | 1.10.287.110;1.10.287.1520;1.10.287.600;1.20.5.420;6.10.140.630;1.10.12.10;6.10.250.2850;6.10.140.790;1.10.287.690;6.10.140.1970;1.20.5.4010;6.10.140.1400;1.10.287.3280;6.10.140.2110;6.10.250.890;6.10.250.2860;4.10.860.20;4.10.860.10;1.10.287.540;1.10.287.910;1.10.287.1060;6.10.140.1390;1.20.5.170;6.10.250.3030;1.10.287.1090;1.20.5.440;1.20.58.90 | null |
1fme | 2001-04-21 | other | id:A;type:U;source:unknown;length:28;seq_nat:EQYTAKYKGRTFRNEKELRDFIEKFKGR;seq_unnat:EQYTAKYKGRTFRNEKELRDFIEKFKGR | 3,548.038 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | Point mutant of sequence generated by orbit design process | C.A. Sarisky;S.L. Mayo | "The beta-beta-alpha fold: explorations in sequence space", J.Mol.Biol., 307, 1411-1418 | 10.1006/jmbi.2000.4345|11292351|0070|0022-2836|JMOBAK | UK | Solution structure of fsd-ey, a novel peptide assuming a beta-beta-alpha fold | fsd-1;beta-beta-alpha;zinc finger;designed protein;de novo protein | null | null | null | null | null | null | 1fsd(0.7592999935) | null | null | null |
1fmh | 2000-11-01 | other | id:A;type:U;source:unknown;length:33;seq_nat:XEVAQLEKEVAQAEAENYQLEQEVAQLEHECGX;seq_unnat:(ACE)EVAQLEKEVAQAEAENYQLEQEVAQLEHECG(NH2)|id:B;type:U;source:unknown;length:33;seq_nat:XEVQALKKRVQALKARNYAAKQKVQALRHKCGX;seq_unnat:(ACE)EVQALKKRVQALKARNYAAKQKVQALRHKCG(NH2) | 3,541.782 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | Synthetic peptide based on the sequence of the leucine zipper domain in gcn4 (baker's yeast) | D.N. Marti;I. Jelesarov;H.R. Bosshard | "Interhelical ion pairing in coiled coils: solution structure of a heterodimeric leucine zipper and determination of pKa values of Glu side chains", Biochemistry, 39, 12804-12818 | 10.1021/bi001242e|11041845|0033|0006-2960|BICHAW | US | Nmr solution structure of a designed heterodimeric leucine zipper | leucine zipper;inter-helical ion pairing;transcription;coiled coil | null | null | null | null | null | null | 3he4(0.943599999) | 1zii(0.9473000169) | 6.10.250.770;1.20.5.420;1.20.5.430;1.20.5.2620;1.20.5.1450;6.10.250.1140;1.20.5.700;6.10.250.500;6.10.250.2150;6.10.250.200;6.10.250.880;6.10.250.2720;6.10.250.270;6.10.250.2060;6.10.250.1090;1.20.5.3960;6.10.250.2370;1.10.287.210;6.10.250.1020;6.10.250.1440;6.10.250.10;1.20.5.1610;6.10.250.950;6.10.250.850;6.10.250.160;6.10.250.380;6.10.250.1040;1.20.5.110;1.20.5.250;1.20.5.580;6.10.250.30;1.20.5.460;6.10.250.1920;1.20.5.740;1.20.890.10;6.10.250.450;1.20.5.170;6.10.250.2550;6.10.250.860;1.20.5.490;1.20.5.100;6.10.250.2270;1.20.5.440;6.10.250.2250;1.20.5.70;1.20.5.510;6.10.250.2580;6.10.250.3070;1.20.5.1190;1.20.5.220;6.10.250.410;1.20.5.590;1.20.5.140;6.10.250.2330 | null |
1fsd | 1997-11-12 | other | id:A;type:D;source:synthetic construct;length:28;seq_nat:QQYTAKIKGRTFRNEKELRDFIEKFKGR;seq_unnat:QQYTAKIKGRTFRNEKELRDFIEKFKGR | 3,497.037 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | null | B.I. Dahiyat;S.L. Mayo | "De novo protein design: fully automated sequence selection", Science, 278, 82-87 | 10.1126/science.278.5335.82|9311930|0038|0036-8075|SCIEAS | US | Full sequence design 1 (fsd-1) of beta beta alpha motif, nmr, 41 structures | computational design;novel sequence | 1fsv(58);2k6r(56) | null | null | null | 1fsv(58) | null | 1fsv(0.8870999813) | null | 3.30.160.60 | null |
1fsv | 1998-01-28 | other | id:A;type:D;source:synthetic construct;length:28;seq_nat:QQYTAKIKGRTFRNEKELRDFIEKFKGR;seq_unnat:QQYTAKIKGRTFRNEKELRDFIEKFKGR | 3,497.037 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | null | B.I. Dahiyat;S.L. Mayo | "De novo protein design: fully automated sequence selection", Science, 278, 82-87 | 10.1126/science.278.5335.82|9311930|0038|0036-8075|SCIEAS | US | Full sequence design 1 (fsd-1) of beta beta alpha motif, nmr, minimized average structure | beta beta alpha motif;computational design;novel sequence | 1fsd(58);2k6r(56) | null | null | null | 1fsd(58) | null | 1fsd(0.8891999722) | null | 3.30.160.60 | null |
1g6u | 2001-02-21 | other | id:A,B;type:U;source:unknown;length:48;seq_nat:SLAALKSELQALKKEGFSPEELAALESELQALEKKLAALKSKLQALKG;seq_unnat:SLAALKSELQALKKEGFSPEELAALESELQALEKKLAALKSKLQALKG | 5,131.009 | P 21 3 | 64.040|64.040|64.040|90.00|90.00|90.00 | X-RAY DIFFRACTION | The peptide was chemically synthesized | N.L. Ogihara;G. Ghirlanda;J.W. Bryson;M. Gingery;W.F. DeGrado;D. Eisenberg | "Design of three-dimensional domain-swapped dimers and fibrous oligomers", Proc.Natl.Acad.Sci.USA, 98, 1404-1409 | 10.1073/pnas.98.4.1404|11171963|0040|0027-8424|PNASA6 | US | Crystal structure of a domain swapped dimer | designed three helix bundle;de novo protein | null | null | 6z0m(0.9682999849) | null | null | null | 6z0m(0.9682999849) | null | 1.10.287.110;1.10.287.1520;1.10.287.600;1.20.5.420;1.10.12.10;6.10.250.2850;6.10.250.660;6.10.140.480;6.10.140.1970;1.10.287.690;1.10.287.1100;1.10.287.650;1.20.5.4010;1.10.287.3280;6.10.140.360;6.10.140.2110;6.10.250.890;1.10.287.190;6.10.250.870;4.10.860.20;6.10.250.3140;1.10.1220.10;1.10.287.540;1.10.287.910;4.10.860.10;6.10.140.1390;1.10.287.470;1.10.287.860;1.10.20.10;1.10.287.2460;1.20.5.170;1.10.287.1090;1.20.5.440;6.10.140.1150;6.10.170.10;1.10.287.1050;1.20.58.90 | null |
1hcw | 1997-03-12 | other | id:A;type:U;source:unknown;length:25;seq_nat:XYTVPSATFSRSDELAKLLRLHAGX;seq_unnat:(ACE)YTVPS(PYA)TFSRSDELAKLLRLHAG(NH2) | 2,739.117 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | null | M.D. Struthers;R.P. Cheng;B. Imperiali | "Design of a monomeric 23-residue polypeptide with defined tertiary structure", Science, 271, 342-345 | |8553067|0038|0036-8075|SCIEAS | US | 23-residue designed metal-free peptide based on the zinc finger domains, nmr, 35 structures | de novo protein design;growth response protein;supersecondary motif | null | null | null | null | null | null | 1t8j(0.7516000271) | null | null | null |
1hqj | 2001-03-14 | other | id:A,B,C,D,E,F,G,H,I,J,K,L;type:U;source:unknown;length:15;seq_nat:DELERRIRELEARIK;seq_unnat:(ZJU)ELERRIRELEARIK | 2,031.294 | P 21 21 21 | 44.334|44.874|81.043|90.00|90.00|90.00 | X-RAY DIFFRACTION | Neosystem | P. Burkhard;M. Meier;A. Lustig | "Design of a minimal protein oligomerization domain by a structural approach", Protein Sci., 9, 2294-2301 | |11206050|0795|0961-8368|PRCIEI | US | Crystal structure of a de novo designed trimeric coiled-coil peptide | trimer;alpha-helix;coiled coil;de novo protein;de novo design | null | null | 1l4x(1);1kyc(0.9970999956) | null | 1hqj(0) | null | 1l4x(1) | null | 6.10.250.1960;1.20.5.2620;6.10.250.310;6.10.250.1560;6.10.250.1210;6.10.250.400;6.10.250.1870;4.10.180.60;6.10.250.3290;6.10.250.1200;1.20.5.460;4.10.180.10;1.20.5.740;6.10.250.1110;1.20.5.510;6.10.250.2050;6.10.250.2830;1.20.5.220;1.20.5.640;6.10.250.1990 | null |
1ic9 | 2001-04-11 | other | id:A;type:U;source:unknown;length:29;seq_nat:SKYEYTIPSYTFRGPGCPTLKPAITVRCE;seq_unnat:SKYEYTI(DPR)SYTFRGPGCPTLKP(DAL)ITVRCE | 3,282.786 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | This protein was chemically sythesized | J.J. Ottesen;B. Imperiali | "Design of a discretely folded mini-protein motif with predominantly beta-structure", Nat.Struct.Biol., 8, 535-539 | 10.1038/88604|11373623|2024|1072-8368|NSBIEW | US | Nmr solution structure of the designed beta-sheet mini-protein th10aox | three stranded antiparallel beta-sheet mini-protein motif de novo protein design;de novo protein | null | null | null | null | 1ic9(0) | null | 1ico(0.7943999767) | 3era(0.545599997) | null | null |
1icl | 2001-04-11 | other | id:A;type:U;source:unknown;length:29;seq_nat:SKYEYTVPSYTFRGPGCPTVKPAISLRCE;seq_unnat:SKYEYTV(DPR)SYTFRGPGCPTVKP(DAL)ISLRCE | 3,254.733 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | This protein was chemically synthesized | J.J. Ottesen;B. Imperiali | "Design of a discretely folded mini-protein motif with predominantly beta-structure", Nat.Struct.Biol., 8, 535-539 | 10.1038/88604|11373623|2024|1072-8368|NSBIEW | US | Solution structure of designed beta-sheet mini-protein th1ox | de novo protein design three-stranded beta-sheet mini-protein motif th motif;de novo protein | null | null | null | null | null | null | 1ico(0.7749999762) | 1fra(0.6510999799) | null | null |
1ico | 2001-04-11 | other | id:A;type:U;source:unknown;length:29;seq_nat:SKYEYTIPSYTFRGPGCPTVKPAVTIRCE;seq_unnat:SKYEYTI(DPR)SYTFRGPGCPTVKP(DAL)VTIRCE | 3,268.759 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | This protein was chemically synthesized | J.J. Ottesen;B. Imperiali | "Design of a discretely folded mini-protein motif with predominantly beta-structure", Nat.Struct.Biol., 8, 535-539 | 10.1038/88604|11373623|2024|1072-8368|NSBIEW | US | Solution structure of designed beta-sheet mini-protein th10box | de novo protein design three-stranded beta-sheet mini-protein motif th motif;de novo protein | null | null | null | null | null | null | 1ic9(0.8072000146) | 3era(0.7477999926) | null | null |
1j4m | 2001-10-17 | other | id:A;type:U;source:unknown;length:14;seq_nat:RGKWTYNGITYEGR;seq_unnat:RGKWTYNGITYEGR | 1,703.877 | null | ||||| | SOLUTION NMR | The peptide was chemically synthesized using fmoc chemistry | M.T. Pastor;M. Lopez de la Paz;E. Lacroix;L. Serrano;E. Perez-Paya | "Combinatorial approaches: a new tool to search for highly structured beta-hairpin peptides", Proc.Natl.Acad.Sci.USA, 99, 614-619 | 10.1073/pnas.012583999|11782528|0040|0027-8424|PNASA6 | US | Minimized average structure of the 14-residue peptide rg-kwty-ng-itye-gr (mbh12) | de novo protein;beta-hairpin | null | null | null | null | null | null | 1k43(0.915899992) | null | null | null |
1jm0 | 2002-01-16 | other | id:A,B,C,D,E,F;type:U;source:unknown;length:50;seq_nat:XDYLRELLKLELQAIKQYREALEYVKLPVLAKILEDEEKHIEWLETILGX;seq_unnat:(ACE)DYLRELLKLELQAIKQYREALEYVKLPVLAKILEDEEKHIEWLETILG(NH2) | 5,828.813 | P 21 21 21 | 37.38|80.12|99.93|90|90|90 | X-RAY DIFFRACTION | This protein was chemically synthesized | L. Di Costanzo;H. Wade;S. Geremia;L. Randaccio;V. Pavone;W.F. DeGrado;A. Lombardi | "Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center", J.Am.Chem.Soc., 123, 12749-12757 | 10.1021/ja010506x|11749531|0004|0002-7863|JACSAT | US | Crystal structure of four-helix bundle model | alpha-helical bundle;de novo protein;protein design | null | null | 1lt1(0.9825000167);1ovv(0.986800015);1ec5(0.9764999747);1jmb(0.9872999787);1ovu(0.9721000195);1ovr(0.9670000076) | null | null | null | 1jmb(0.9872999787) | 8qie(0.9129999876) | 1.10.287.110;1.10.287.600;1.20.5.420;6.10.140.630;1.10.287.660;1.10.287.3810;4.10.810.10;1.10.12.10;6.10.250.2850;6.10.140.790;1.10.287.690;1.20.5.4010;6.10.250.890;1.10.286.70;1.10.287.190;1.10.287.550;6.10.250.870;6.10.250.2860;6.10.140.1480;4.10.860.20;1.10.287.230;6.10.250.3140;6.10.140.420;4.10.860.10;1.10.287.540;1.10.287.750;1.10.287.1060;6.10.140.2060;6.10.20.80;6.10.140.1390;1.10.287.470;6.10.140.820;1.10.287.2460;1.20.5.170;6.10.140.1240;1.10.287.1090;1.20.5.440;6.10.140.150;6.10.140.1560;6.10.140.1050;6.10.250.1120;6.10.140.2050;1.10.287.100;6.10.140.1150;6.10.170.10;1.10.287.130;1.10.287.770;6.10.250.220;1.20.58.90;1.10.287.10 | null |
1jmb | 2002-01-16 | other | id:A,B,C;type:U;source:unknown;length:50;seq_nat:XDYLRELLKLELQAIKQYREALEYVKLPVLAKILEDEEKHIEWLETILGX;seq_unnat:(ACE)DYLRELLKLELQAIKQYREALEYVKLPVLAKILEDEEKHIEWLETILG(NH2) | 5,828.813 | C 2 2 21 | 37.121|112.451|79.877|90.00|90.00|90.00 | X-RAY DIFFRACTION | This protein was chemically synthesized | L. Di Costanzo;H. Wade;S. Geremia;L. Randaccio;V. Pavone;W.F. DeGrado;A. Lombardi | "Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center", J.Am.Chem.Soc., 123, 12749-12757 | 10.1021/ja010506x|11749531|0004|0002-7863|JACSAT | US | Crystal structure of four-helix bundle model | alpha-helical bundle;de novo protein;protein design | null | null | 1jm0(0.9872000217);1ovv(0.9610000253);1ec5(0.9740999937);1lt1(0.9553999901);1ovu(0.9557999969) | null | null | null | 1jm0(0.9872000217) | 8qie(0.8938999772) | 1.10.287.110;1.10.287.600;1.20.5.420;6.10.140.630;1.10.287.660;1.10.287.3810;1.10.12.10;6.10.250.2850;6.10.140.790;1.10.287.690;1.20.5.4010;6.10.250.890;1.10.287.190;1.10.286.70;1.10.880.10;1.10.287.550;6.10.250.2860;4.10.860.20;1.10.287.230;6.10.250.3140;4.10.860.10;1.10.287.540;1.10.287.1060;6.10.20.80;6.10.140.1390;1.10.287.470;6.10.140.820;1.10.287.2460;1.20.5.170;6.10.140.1240;1.10.287.1090;1.20.5.440;6.10.140.1050;6.10.140.2050;6.10.140.1150;1.10.287.770;6.10.250.220;1.20.58.90 | null |
1jy4 | 2002-06-12 | other | id:A,B;type:U;source:unknown;length:35;seq_nat:RGECKFTVPGRTALNTPAVQKWHFVLPGYKCEILA;seq_unnat:RGECKFTV(DPR)GRTALNT(DPR)AVQKWHFVL(DPR)GYKCEILA | 3,937.633 | null | ||||| | SOLUTION NMR | The peptide was chemically synthesized | J. Venkatraman;G.A. Nagana Gowda;P. Balaram | "Design and construction of an open multistranded beta-sheet polypeptide stabilized by a disulfide bridge", J.Am.Chem.Soc., 124, 4987-4994 | 10.1021/ja0174276|11982362|0004|0002-7863|JACSAT | US | B4dimer: a de novo designed eight-stranded beta-sheet assembled using a disulfide bond | de novo protein design;de novo protein;eight-stranded beta-sheet;disulfide bond | null | null | null | null | null | null | 8w97(0.6869999766) | 1eio(0.7623000145) | 2.20.25.400;2.60.40.2760;2.20.25.10 | null |
1jy6 | 2002-06-12 | other | id:A,B;type:U;source:unknown;length:35;seq_nat:RGECKFTVPGRTALNTPAVQKWHFVLPGYKCEILA;seq_unnat:RGECKFTV(DPR)GRTALNT(DPR)AVQKWHFVL(DPR)GYKCEILA | 3,937.633 | null | ||||| | SOLUTION NMR | The peptide is chemically synthesized | J. Venkatraman;G.A. Nagana Gowda;P. Balaram | "Design and construction of an open multistranded beta-sheet polypeptide stabilized by a disulfide bridge", J.Am.Chem.Soc., 124, 4987-4994 | 10.1021/ja0174276|11982362|0004|0002-7863|JACSAT | US | B4dimera: a de novo designed four-stranded beta-sheet assembled using a disulfide bond | de novo protein design;de novo protein;four-stranded beta-sheet;disulfide bond | null | null | null | null | null | null | 1jy4(0.8363000154) | null | null | null |
1jy9 | 2001-09-19 | other | id:A;type:U;source:unknown;length:20;seq_nat:TTTTRYVEVPGKKILQTTTT;seq_unnat:TTTTRYVEV(DPR)GKKILQTTTT | 2,241.559 | null | ||||| | SOLUTION NMR | The peptide was synthesized by solid phase peptide synthesis | H.E. Stanger;F.A. Syud;J.F. Espinosa;I. Giriat;T. Muir;S.H. Gellman | "Length-dependent stability and strand length limits in antiparallel beta -sheet secondary structure", Proc.Natl.Acad.Sci.USA, 98, 12015-12020 | 10.1073/pnas.211536998|11593011|0040|0027-8424|PNASA6 | US | Minimized average structure of dp-tt2 | de novo protein;beta-hairpin | null | null | null | null | null | null | 8yq6(0.7265999913) | null | null | null |
1k09 | 2002-07-10 | other | id:A;type:U;source:unknown;length:26;seq_nat:XKAKIIRYFYNAKDGLAQTFVYGGCX;seq_unnat:(MPT)KAKIIRYFYNAKDGL(ABA)QTFVYGGC(NH2)|id:B;type:U;source:unknown;length:26;seq_nat:XKARIIRYFYNAKDGKAQTFVYGGCX;seq_unnat:(MPT)KARIIRYFYNAKDGK(ABA)QTFVYGGC(NH2) | 2,831.34 | null | ||||| | SOLUTION NMR | The peptide was chemically synthesized by solid-phase peptide chemistry. the sequence of the peptide is naturally found in bos taurus (bovine) | N. Carulla;C. Woodward;G. Barany | "BetaCore, a designed water soluble four-stranded antiparallel beta-sheet protein", Protein Sci., 11, 1539-1551 | 10.1110/ps.4440102|12021452|0795|0961-8368|PRCIEI | US | Solution structure of betacore, a designed water soluble four-stranded antiparallel b-sheet protein | four-stranded antiparallel beta-sheet;de novo protein | null | null | null | null | null | null | null | null | null | null |
1k43 | 2001-10-17 | other | id:A;type:U;source:unknown;length:14;seq_nat:RGKWTYNGITYEGR;seq_unnat:RGKWTYNGITYEGR | 1,703.877 | null | ||||| | SOLUTION NMR | The peptide was chemically synthesized using fmoc chemistry | M.T. Pastor;M. Lopez de la Paz;E. Lacroix;L. Serrano;E. Perez-Paya | "Combinatorial approaches: a new tool to search for highly structured beta-hairpin peptides", Proc.Natl.Acad.Sci.USA, 99, 614-619 | 10.1073/pnas.012583999|11782528|0040|0027-8424|PNASA6 | US | 10 structure ensemble of the 14-residue peptide rg-kwty-ng-itye-gr (mbh12) | de novo protein;beta-hairpin | null | null | null | null | null | null | 1j4m(0.9165999889) | null | null | null |
1kd8 | 2001-11-28 | other | id:A,C,F;type:U;source:unknown;length:36;seq_nat:XEVKQLEAEVEEIESEVWHLENEVARLEKENAECEA;seq_unnat:(ACE)EVKQLEAEVEEIESEVWHLENEVARLEKENAECEA|id:B,D,E;type:U;source:unknown;length:36;seq_nat:XKVKQLKAKVEELKSKLWHLKNKVARLKKKNAECKA;seq_unnat:(ACE)KVKQLKAKVEELKSKLWHLKNKVARLKKKNAECKA | 4,142.462 | P 41 21 2 | 86.044|86.044|78.384|90.00|90.00|90.00 | X-RAY DIFFRACTION | The peptide was chemically synthesized | A.E. Keating;V.N. Malashkevich;B. Tidor;P.S. Kim | "Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils", Proc.Natl.Acad.Sci.USA, 98, 14825-14830 | 10.1073/pnas.261563398|11752430|0040|0027-8424|PNASA6 | US | X-ray structure of the coiled coil gcn4 acid base heterodimer acid-d12ia16v base-d12la16l | de novo protein;coiled coil heterodimer | null | null | 1kd9(0.9986000061);1kdd(0.9987000227) | null | null | null | 1kdd(0.9987000227) | 1zii(0.9140999913) | 6.10.250.770;1.20.5.420;6.10.250.2070;1.20.5.430;6.10.250.810;1.20.5.1450;1.20.5.750;1.20.5.700;6.10.250.2150;6.10.250.200;6.10.250.2720;1.10.287.210;6.10.250.2060;6.10.250.1090;1.20.5.470;1.20.5.520;6.10.250.1020;6.10.250.1440;6.10.250.10;1.20.5.1610;6.10.250.950;6.10.250.850;6.10.250.380;1.20.5.110;1.20.5.250;1.20.5.160;6.10.250.1780;1.20.5.580;1.20.5.460;1.20.890.10;6.10.250.1920;6.10.250.450;1.20.5.170;6.10.250.2550;6.10.250.860;1.20.5.100;1.20.5.2440;6.10.250.2270;1.20.5.440;6.10.250.2250;1.20.5.70;1.20.5.1160;1.20.5.510;6.10.250.2000;1.20.5.1190;1.20.5.490;6.10.250.1140;1.20.5.220;1.20.5.590;1.20.5.140;6.10.250.2330;1.10.287.10 | null |
1kd9 | 2001-11-28 | other | id:A,C,F;type:U;source:unknown;length:36;seq_nat:XEVKQLEAEVEELESELWHLENEVARLEKENAECEA;seq_unnat:(ACE)EVKQLEAEVEELESELWHLENEVARLEKENAECEA|id:B,D,E;type:U;source:unknown;length:36;seq_nat:XKVKQLKAKVEELKSKLWHLKNKVARLKKKNAECKA;seq_unnat:(ACE)KVKQLKAKVEELKSKLWHLKNKVARLKKKNAECKA | 4,156.49 | P 41 21 2 | 86.740|86.740|79.176|90.00|90.00|90.00 | X-RAY DIFFRACTION | The peptide was chemically synthesized | A.E. Keating;V.N. Malashkevich;B. Tidor;P.S. Kim | "Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils", Proc.Natl.Acad.Sci.USA, 98, 14825-14830 | 10.1073/pnas.261563398|11752430|0040|0027-8424|PNASA6 | US | X-ray structure of the coiled coil gcn4 acid base heterodimer acid-d12la16l base-d12la16l | de novo protein;coiled coil heterodimer | null | null | 1kdd(0.9986000061);1kd8(0.9986000061);3he4(0.977699995) | null | null | null | 1kd8(0.9986000061) | 1zii(0.9140999913) | 6.10.250.770;1.20.5.420;6.10.250.2070;1.20.5.430;6.10.250.810;1.20.5.1450;1.20.5.750;1.20.5.700;6.10.250.2150;6.10.250.200;6.10.250.2720;1.10.287.210;6.10.250.2060;1.20.5.470;6.10.250.1090;6.10.250.110;1.20.5.520;6.10.250.1020;6.10.250.1440;6.10.250.10;1.20.5.1610;6.10.250.950;6.10.250.850;6.10.250.380;1.20.5.110;1.20.5.250;1.20.5.160;6.10.250.1780;1.20.5.580;1.20.5.460;1.20.890.10;6.10.250.1920;6.10.250.450;1.20.5.170;6.10.250.2550;6.10.250.860;1.20.5.100;1.20.5.2440;6.10.250.2270;1.20.5.440;6.10.250.2250;1.20.5.1160;1.20.5.70;1.20.5.510;6.10.250.2000;1.20.5.1190;1.20.5.490;6.10.250.1140;1.20.5.220;1.20.5.590;1.20.5.140;6.10.250.2330;1.10.287.10 | null |
1kdd | 2001-11-28 | other | id:B,D,E;type:U;source:unknown;length:36;seq_nat:XKVKQLKAKVEELKSKLWHLKNKVARLKKKNAECKA;seq_unnat:(ACE)KVKQLKAKVEELKSKLWHLKNKVARLKKKNAECKA|id:A,C,F;type:U;source:unknown;length:36;seq_nat:XEVKQLEAEVEELESEIWHLENEVARLEKENAECEA;seq_unnat:(ACE)EVKQLEAEVEELESEIWHLENEVARLEKENAECEA | 4,157.15 | P 41 21 2 | 86.278|86.278|78.864|90.00|90.00|90.00 | X-RAY DIFFRACTION | The peptide was chemically synthesized | A.E. Keating;V.N. Malashkevich;B. Tidor;P.S. Kim | "Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils", Proc.Natl.Acad.Sci.USA, 98, 14825-14830 | 10.1073/pnas.261563398|11752430|0040|0027-8424|PNASA6 | US | X-ray structure of the coiled coil gcn4 acid base heterodimer acid-d12la16i base-d12la16l | de novo protein;coiled coil heterodimer | null | null | 1kd8(0.9987000227);1kd9(0.9986000061);3he4(0.9746999741) | null | null | null | 1kd8(0.9987000227) | 1zii(0.9140999913) | 6.10.250.770;1.20.5.420;6.10.250.2070;1.20.5.430;6.10.250.810;1.20.5.770;1.20.5.1450;1.20.5.750;1.20.5.700;6.10.250.2150;6.10.250.2720;1.10.287.210;6.10.250.2060;1.20.5.470;6.10.250.1090;1.20.5.520;6.10.250.1020;6.10.250.1440;6.10.250.10;1.20.5.1610;6.10.250.850;6.10.250.380;1.20.5.110;1.20.5.250;1.20.5.160;6.10.250.1780;1.20.5.580;1.20.5.460;1.20.890.10;6.10.250.1920;6.10.250.450;1.20.5.170;6.10.250.2550;6.10.250.860;1.20.5.100;1.20.5.2440;6.10.250.2270;1.20.5.440;6.10.250.2250;1.20.5.70;1.20.5.1160;1.20.5.510;6.10.250.2000;1.20.5.1190;1.20.5.490;6.10.250.1140;1.20.5.220;1.20.5.590;1.20.5.140;6.10.250.2330;1.10.287.10 | null |
1kyc | 2002-08-07 | other | id:A;type:U;source:unknown;length:16;seq_nat:EELRRRIEELERRIRX;seq_unnat:EELRRRIEELERRIR(NH2) | 2,057.386 | H 3 2 | 33.386|33.386|65.691|90.00|90.00|120.00 | X-RAY DIFFRACTION | This peptide was chemically synthesized | P. Burkhard;S. Ivaninskii;A. Lustig | "Improving coiled-coil stability by optimizing ionic interactions", J.Mol.Biol., 318, 901-910 | 10.1016/S0022-2836(02)00114-6|12054832|0070|0022-2836|JMOBAK | UK | Crystal structure of a de novo designed trimeric coiled-coil peptide stablized by ionic interactions | trimer;alpha-helix;coiled coil;de novo protein;de novo design | null | null | 1hqj(0.9970999956) | null | 1kyc(0) | null | 1hqj(0.9970999956) | null | 6.10.250.1960;6.10.250.1110;6.10.250.2050;4.10.180.60;6.10.250.400;1.20.5.460;4.10.180.10;6.10.250.2830;6.10.250.1560;1.20.5.220;1.20.5.640 | null |
1l2y | 2002-05-29 | other | id:A;type:U;source:unknown;length:20;seq_nat:NLYIQWLKDGGPSSGRPPPS;seq_unnat:NLYIQWLKDGGPSSGRPPPS | 2,171.413 | null | ||||| | SOLUTION NMR | The protein was synthesized using standard fmoc solid-phase synthesis methods on an applied biosystems 433a peptide synthesizer | J.W. Neidigh;R.M. Fesinmeyer;N.H. Andersen | "Designing a 20-residue protein", Nat.Struct.Biol., 9, 425-430 | 10.1038/nsb798|11979279|2024|1072-8368|NSBIEW | US | Nmr structure of trp-cage miniprotein construct tc5b | miniprotein;two-state folding;de novo protein;trp-cage | null | null | null | null | null | null | 2jof(0.9258000255) | 1jrj(0.9016000032) | 6.10.250.1960;6.10.250.2050;4.10.180.60;1.20.5.640;4.10.180.10;6.10.250.2830;6.10.250.1560;6.10.250.300;6.10.250.1110;6.10.250.1990 | null |
1l4x | 2002-11-13 | other | id:A,B,C,D,E,F,G,H;type:U;source:unknown;length:16;seq_nat:DELERAIRELAARIKX;seq_unnat:(ZJU)ELERAIRELAARIK(NH2) | 1,885.15 | P 31 2 1 | 56.628|56.628|113.869|90.00|90.00|120.00 | X-RAY DIFFRACTION | This peptide is a de novo designed sequence | M. Meier;A. Lustig;U. Aebi;P. Burkhard | "Removing an interhelical salt bridge abolishes coiled-coil formation in a de novo designed peptide", J.STRUCT.BIOL., 137, 65-72 | 10.1006/jsbi.2002.4467|12064934|0803|1047-8477|JSBIEM | US | Octameric de novo designed peptide | ionic interactions;protein oligomerization;de novo protein;protein folding;coiled coil;protein de novo design | null | null | 1hqj(1);1kyc(0.991599977) | null | 1l4x(0) | null | 1hqj(1) | null | 6.10.250.1960;1.20.5.2620;6.10.250.310;6.10.250.1560;6.10.250.1210;6.10.250.400;6.10.250.1590;6.10.250.2160;6.10.250.1870;6.10.250.120;4.10.180.60;6.10.250.3290;6.10.250.1200;1.20.5.460;4.10.180.10;1.20.5.740;6.10.250.300;6.10.250.1110;1.20.5.510;6.10.250.2050;6.10.250.2830;1.20.5.220;1.20.5.640 | null |
1le0 | 2002-04-24 | other | id:A;type:U;source:unknown;length:13;seq_nat:SWTWEGNKWTWKX;seq_unnat:SWTWEGNKWTWK(NH2) | 1,608.776 | null | ||||| | SOLUTION NMR | This sequence was designed based on experimental data obtained from a model system. the peptide was chemically synthesized and does not appear to occur in nature | A.G. Cochran;N.J. Skelton;M.A. Starovasnik | "Tryptophan zippers: stable, monomeric beta -hairpins", Proc.Natl.Acad.Sci.USA, 98, 5578-5583 | 10.1073/pnas.091100898|11331745|0040|0027-8424|PNASA6 | US | Nmr structure of tryptophan zipper 1: a stable, monomeric beta-hairpin with a type ii' turn | type ii' turn;de novo protein;beta-hairpin | null | null | 1le1(0.9639999866) | null | null | null | 1le1(0.9639999866) | null | null | null |
1le1 | 2002-04-24 | other | id:A;type:U;source:unknown;length:13;seq_nat:SWTWENGKWTWKX;seq_unnat:SWTWENGKWTWK(NH2) | 1,608.776 | null | ||||| | SOLUTION NMR | This sequence was designed based on experimental data obtained from a model system. the peptide was chemically synthesized and does not appear to occur in nature | A.G. Cochran;N.J. Skelton;M.A. Starovasnik | "Tryptophan zippers: stable, monomeric beta -hairpins", Proc.Natl.Acad.Sci.USA, 98, 5578-5583 | 10.1073/pnas.091100898|11331745|0040|0027-8424|PNASA6 | US | Nmr structure of tryptophan zipper 2: a stable, monomeric beta-hairpin with a type i' turn | de novo protein;type i' turn;beta-hairpin | null | null | 1le0(0.9639999866) | null | null | null | 1le0(0.9639999866) | null | null | null |
1le3 | 2002-04-24 | other | id:A;type:U;source:unknown;length:17;seq_nat:GEWTWDDATKTWTWTEX;seq_unnat:GEWTWDDATKTWTWTE(NH2) | 2,012.094 | null | ||||| | SOLUTION NMR | This sequence is derived from residues 41-56 of the b1 domain of protein g with three substitutions from the natural sequence, y45w/f52w/v54w. the peptide was synthesized chemically | A.G. Cochran;N.J. Skelton;M.A. Starovasnik | "Tryptophan zippers: stable, monomeric beta -hairpins", Proc.Natl.Acad.Sci.USA, 98, 5578-5583 | 10.1073/pnas.091100898|11331745|0040|0027-8424|PNASA6 | US | Nmr structure of tryptophan zipper 4: a stable beta-hairpin peptide based on the c-terminal hairpin of the b1 domain of protein g | type i beta-turn;protein binding;beta-hairpin | null | null | null | null | null | null | 2lhe(0.8205999732) | 1gb4(0.8723999858) | null | null |
1lq7 | 2002-06-05 | other | id:A;type:U;source:unknown;length:67;seq_nat:GSRVKALEEKVKALEEKVKALGGGGRIEELKKKWEELKKKIEELGGGGEVKKVEEEVKKLEEEIKKL;seq_unnat:GSRVKALEEKVKALEEKVKALGGGGRIEELKKKWEELKKKIEELGGGGEVKKVEEEVKKLEEEIKKL | 7,562.899 | null | ||||| | SOLUTION NMR | null | Q.-H. Dai;C. Tommos;E.J. Fuentes;M. Blomberg;P.L. Dutton;A.J. Wand | "Structure of a De Novo Designed Protein Model of Radical Enzymes", J.Am.Chem.Soc., 124, 10952-10953 | 10.1021/ja0264201|12224922|0004|0002-7863|JACSAT | US | De novo designed protein model of radical enzymes | de novo protein;three helix bundle | null | null | null | null | null | null | 2mi7(0.6837999821) | null | 1.20.81.20;1.20.1440.140;1.20.5.420;1.20.1270.430;1.10.8.1010;1.20.1270.10;1.10.287.410;1.20.1270.90;1.20.1270.20;1.20.1270.150;1.10.8.1170;1.20.1270.110;1.20.1270.350 | null |
1lt1 | 2003-05-20 | other | id:A,B,C,D,E,F,G,H;type:U;source:unknown;length:50;seq_nat:XDYLRELLKLELQGIKQYREALEYVKLPVLAKILEDEEKHIEWLETILGX;seq_unnat:(ACE)DYLRELLKLELQGIKQYREALEYVKLPVLAKILEDEEKHIEWLETILG(NH2) | 5,814.788 | P 21 21 21 | 38.225|89.270|146.288|90.00|90.00|90.00 | X-RAY DIFFRACTION | This peptide was chemically synthetized | W.F. Degrado;L. Di Costanzo;S. Geremia;A. Lombardi;V. Pavone;L. Randaccio | "Sliding helix and change of coordination geometry in a model di-MnII protein", Angew.Chem.Int.Ed.Engl., 42, 417-420 | 10.1002/anie.200390127|12569505|0179|0570-0833|ACIEAY | GE | Sliding helix induced change of coordination geometry in a model di-mn(ii) protein | alpha-helical bundle;de novo protein;sliding helix;protein design | null | null | 1jm0(0.9822000265);1ec5(0.9667000175);1jmb(0.9577999711);1ovr(0.9991000295);1ovu(0.9875000119) | null | null | null | 1ovr(0.9991000295) | 8qie(0.9169999957) | 1.10.287.110;1.10.287.600;1.20.5.420;6.10.140.630;1.10.287.660;1.10.287.3810;4.10.810.10;1.10.12.10;6.10.250.2850;6.10.140.790;1.10.287.690;1.20.5.4010;6.10.140.360;1.10.287.140;6.10.250.1570;6.10.250.890;1.10.286.70;1.10.287.550;1.10.287.190;6.10.250.2860;6.10.140.1480;4.10.860.20;1.10.287.230;6.10.250.3140;4.10.860.10;1.10.287.540;1.10.287.750;6.10.140.420;1.10.287.1060;6.10.140.1390;1.10.287.470;6.10.140.820;1.10.287.2460;1.20.5.170;6.10.140.1240;1.10.287.1090;1.20.5.440;6.10.140.150;6.10.140.1560;6.10.140.1050;6.10.250.1120;6.10.140.2050;1.10.287.100;6.10.140.1150;6.10.170.10;1.10.287.130;6.10.250.980;1.10.287.770;6.10.250.220;1.20.58.90;1.10.287.10 | null |
1m3w | 2003-02-18 | other | id:A,B,C,D;type:U;source:unknown;length:32;seq_nat:CGGGEIWKLHEEFLKKFEELLKLHEERLKKMX;seq_unnat:CGGGEIWKLHEEFLKKFEELLKLHEERLKKM(NH2) | 3,806.542 | P 1 21 1 | 26.900|48.800|46.700|90.00|104.70|90.00 | X-RAY DIFFRACTION | This protein was chemically synthesized by solid phase protein synthesis using fmoc protected amino acids | S.S. Huang;B.R. Gibney;S.E. Stayrook;P.L. Dutton;M. Lewis | "X-ray Structure of a Maquette Scaffold", J.Mol.Biol., 326, 1219-1225 | 10.1016/S0022-2836(02)01441-9|12589764|0070|0022-2836|JMOBAK | UK | Crystal structure of a molecular maquette scaffold | four-helix bundle;heme binding;electron transport;heme binding protein;de novo protein;maquette | null | null | null | null | null | null | 5eze(0.9330000281) | null | 6.10.250.770;1.20.5.420;1.20.5.430;1.20.5.2620;1.20.5.770;1.20.5.1450;6.10.250.1140;1.20.5.700;6.10.250.500;6.10.250.1150;6.10.250.2150;6.10.250.200;6.10.250.880;6.10.250.2720;6.10.250.270;6.10.250.2060;6.10.250.1090;1.20.5.3960;6.10.250.2370;6.10.250.1210;6.10.250.1020;6.10.250.1440;6.10.250.10;1.20.5.1610;6.10.250.160;6.10.250.850;6.10.250.490;6.10.250.380;1.20.5.110;1.20.5.250;6.10.250.30;1.20.5.460;1.20.5.740;6.10.250.450;1.20.5.170;6.10.250.2550;6.10.250.860;1.20.5.490;1.20.5.100;6.10.250.2270;1.20.5.440;1.20.5.70;1.20.5.510;6.10.250.1330;6.10.250.2580;6.10.250.320;6.10.250.3070;1.20.5.1190;1.20.5.220;6.10.250.410;1.20.5.590;1.20.5.140;6.10.250.2330 | null |
1mey | 1997-03-12 | other | id:A,D;type:N;source:DNA;length:13;seq_nat:ATGAGGCAGAACT;seq_unnat:(DA)(DT)(DG)(DA)(DG)(DG)(DC)(DA)(DG)(DA)(DA)(DC)(DT)|id:B,E;type:N;source:DNA;length:13;seq_nat:TAGTTCTGCCTCA;seq_unnat:(DT)(DA)(DG)(DT)(DT)(DC)(DT)(DG)(DC)(DC)(DT)(C38)(DA)|id:C,F,G;type:D;source:synthetic construct;length:88;seq_nat:MEKPYKCPECGKSFSQSSNLQKHQRTHTGEKPYKCPECGKSFSQSSDLQKHQRTHTGEKPYKCPECGKSFSRSDHLSRHQRTHQNKK;seq_unnat:MEKPYKCPECGKSFSQSSNLQKHQRTHTGEKPYKCPECGKSFSQSSDLQKHQRTHTGEKPYKCPECGKSFSRSDHLSRHQRTHQNKK | 4,024.649 | P 21 21 21 | 62.070|165.530|46.274|90.00|90.00|90.00 | X-RAY DIFFRACTION | null | C.A. Kim;J.M. Berg | "A 2.2 A Resolution Crystal Structure of a Designed Zinc Finger Protein Bound to DNA", Nat.Struct.Biol., 3, 940-945 | 10.1038/nsb1196-940|8901872|2024|1072-8368|NSBIEW | US | Crystal structure of a designed zinc finger protein bound to dna | protein-dna interaction;zinc finger;protein design;transferase-dna complex;complex (zinc finger-dna);transferase/dna | null | null | null | null | null | null | 1psv(0.5792000294) | 1ubd(0.8784000278) | 3.30.160.60 | 2024-10-07: Confirm chains A, D, B, E to be DNA rather than unknown;2024-10-07: Confirm chains C, F, G to be de novo designed rather than unknown |
1mj0 | 2003-01-21 | other | id:A;type:D;source:Designed synthetic gene;length:168;seq_nat:MRGSHHHHHHGSDLGKKLLEAARAGQDDEVRILMANGADVNATDNDGYTPLHLAASNGHLEIVEVLLKNGADVNASDLTGITPLHLAAATGHLEIVEVLLKHGADVNAYDNDGHTPLHLAAKYGHLEIVEVLLKHGADVNAQDKFGKTAFDISIDNGNEDLAEILQ;seq_unnat:MRGSHHHHHHGSDLGKKLLEAARAGQDDEVRILMANGADVNATDNDGYTPLHLAASNGHLEIVEVLLKNGADVNASDLTGITPLHLAAATGHLEIVEVLLKHGADVNAYDNDGHTPLHLAAKYGHLEIVEVLLKHGADVNAQDKFGKTAFDISIDNGNEDLAEILQ | 17,738.664 | P 21 21 2 | 73.864|47.360|47.003|90.00|90.00|90.00 | X-RAY DIFFRACTION | null | A. Kohl;H.K. Binz;P. Forrer;M.T. Stumpp;A. Plueckthun;M.G. Gruetter | "Designed to be stable: Crystal structure of a consensus ankyrin repeat protein", Proc.Natl.Acad.Sci.USA, 100, 1700-1705 | 10.1073/pnas.0337680100|12566564|0040|0027-8424|PNASA6 | US | Sank e3_5: an artificial ankyrin repeat protein | consensus;protein engineering;de novo protein;ankyrin repeat | null | null | 4j8y(0.9732999802);7z72(0.9627000093);7z7e(0.9821000099);6fpb(0.9803000093);4j7w(0.9703999758);5kng(0.9689000249);9gtk(0.9833999872);5knh(0.9742000103);6fp9(0.9750000238);6fpa(0.9695000052);5oou(0.9502000213);4ydw(0.9781000018);7b4w(0.9764000177);5oos(0.9552000165);7b4t(0.9563999772);2xeh(0.9787999988);8aed(0.9646000266);2xee(0.980799973);9gnb(0.9524000287);7z71(0.9718000293);7z7c(0.9799000025);2qyj(0.9599999785);7dne(0.9585999846);2bkg(0.9531000257);4dui(0.9531999826);7zyu(0.9616000056);5lea(0.9606999755);5le8(0.9728000164);5le9(0.9623000026);9g8i(0.9528999925);9epa(0.9739000201);5le7(0.9589999914);5leb(0.9671000242);6sa7(0.9577999711);5lec(0.961499989);5le2(0.9589999914);5le6(0.9542999864);5le4(0.9589999914);4gpm(0.9592999816);5kba(0.9556000233);5eil(0.9523000121) | null | null | null | 9gtk(0.9833999872) | 1awc(0.9172999859) | 1.10.10.2400;1.25.40.70;1.10.220.10;1.25.10.10;1.25.40.20 | null |
1n09 | 2003-02-04 | other | id:A;type:U;source:unknown;length:12;seq_nat:XCTWEGNKLTCX;seq_unnat:(ACE)CTWEGNKLTC(NH2) | 1,179.37 | null | ||||| | SOLUTION NMR | The peptide was chemically synthesized | S.J. Russell;T. Blandl;N.J. Skelton;A.G. Cochran | "Stability of cyclic beta-hairpins: asymmetric contributions from side chains of a hydrogen-bonded cross-strand residue pair", J.Am.Chem.Soc., 125, 388-395 | 10.1021/ja028075l|12517150|0004|0002-7863|JACSAT | US | A minimal beta-hairpin peptide scaffold for beta-turn display | beta hairpin;de novo protein;beta turn;cyclic disulfide | null | null | 1n0c(0.9832999706) | null | null | null | 1n0c(0.9832999706) | null | null | null |
1n0a | 2003-10-21 | other | id:A;type:U;source:unknown;length:13;seq_nat:XCTWEPDGKLTCX;seq_unnat:(ACE)CTWEPDGKLTC(NH2) | 1,277.47 | null | ||||| | SOLUTION NMR | The peptide was chemically synthesized | T. Blandl;A.G. Cochran;N.J. Skelton | "Turn stability in beta-hairpin peptides: Investigation of peptides containing 3:5 type I G1 bulge turns", PROTEIN SCI., 12, 237-247 | 10.1110/ps.0228603|12538887|0795|0961-8368|PRCIEI | US | Turn stability in beta-hairpin peptides: 3:5 type i g1 bulge turns | beta hairpin;de novo protein;beta-bulge;beta-turn | null | null | null | null | null | null | 2evq(0.8399999738) | null | null | null |
1n0c | 2003-10-21 | other | id:A;type:U;source:unknown;length:12;seq_nat:XCHWEGNKLVCX;seq_unnat:(ACE)CHWEGNKLVC(NH2) | 1,214.44 | null | ||||| | SOLUTION NMR | The peptide was chemically synthesized | S.J. Russel;T. Blandl;N.J. Skelton;A.G. Cochran | "Stability of cyclic beta-hairpins: asymmetric contributions from side chains of a hydrogen-bonded cross-strand residue pair", J.AM.CHEM.SOC., 125, 388-395 | 10.1021/ja028075l|12517150|0004|0002-7863|JACSAT | US | Stability of cyclic beta-hairpins: asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair | beta hairpin;de novo protein;beta turn;cyclic disulfide | null | null | 1n09(0.9832999706) | null | null | null | 1n09(0.9832999706) | null | null | null |
1n0d | 2003-02-04 | other | id:A;type:U;source:unknown;length:12;seq_nat:XCVWEGNKLHCX;seq_unnat:(ACE)CVWEGNKLHC(NH2) | 1,214.44 | null | ||||| | SOLUTION NMR | The peptide was chemically synthesized | S.J. Russell;T. Blandl;N.J. Skelton;A.G. Cochran | "Stability of Cyclic Beta-Hairpins: Asymmetric Contributions From Side Chains of Hydrogen Bonded Cross-Strand Residue Pair", J.Am.Chem.Soc., 125, 388-395 | 10.1021/ja028075l|12517150|0004|0002-7863|JACSAT | US | Stability of cyclic beta-hairpins: asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair | beta hairpin;de novo protein;beta turn;cyclic disulfide | null | null | null | null | null | null | 1n0d(0) | null | null | null |
1n0q | 2003-01-28 | other | id:A,B;type:U;source:unknown;length:94;seq_nat:NGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGAY;seq_unnat:NGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGAY | 9,938.445 | P 21 21 21 | 39.636|43.159|105.574|90.00|90.00|90.00 | X-RAY DIFFRACTION | null | L.K. Mosavi;D.L. Minor Jr.;Z.-Y. Peng | "Consensus-derived structural determinants of the ankyrin repeat motif", Proc.Natl.Acad.Sci.USA, 99, 16029-16034 | 10.1073/pnas.252537899|12461176|0040|0027-8424|PNASA6 | US | 3ank: a designed ankyrin repeat protein with three identical consensus repeats | ank;ankyrin repeat;structural protein | null | null | 4qfv(0.9720000029);2qyj(0.9642999768);2xeh(0.9678000212);6fpb(0.9764999747);4gpm(0.9843999743);6c9k(0.9610999823);5kng(0.9715999961);1mj0(0.9649000168);9f22(0.9678999782);7ujj(0.9671999812);5knh(0.9646000266);7z72(0.9505000114);7z7c(0.9725999832);4ydw(0.9634000063);2xee(0.9653000236);7z71(0.9663000107);5hs0(0.9832999706);4atz(0.9624999762);5eil(0.9599999785);9fe2(0.9521999955);4j8y(0.9697999954);7z7e(0.9743999839);5le9(0.9628000259);6fpa(0.9725000262);7zyu(0.962199986);4hqd(0.9686999917);7b4u(0.9501000047);8aed(0.9632999897);5oou(0.9596999884);6fp9(0.9639000297);8qea(0.9553999901);7b4w(0.9502000213);2bkg(0.9708999991);7b4v(0.9550999999);8ql5(0.9541000128);8qlb(0.9585000277);8ql2(0.9606000185);8qla(0.9571999907);8ql4(0.9589999914);8ql6(0.9552000165);8ql7(0.9552000165);8ql8(0.9585000277);7tcd(0.9571999907);8ql3(0.9607999921);4dui(0.9721999764);5le6(0.9541000128);1n0r(0.9854000211);9gtk(0.9599999785);5kba(0.9549000263);5hry(0.9659000039);5lw2(0.9628000259);9f07(0.9588999748);7dnf(0.9569000006);4j7w(0.9697999954);7dne(0.9516000152);7tbq(0.9574999809);5oos(0.9545000196);6sa8(0.9516000152);8ql9(0.9502000213) | 1awc(0.9587000012) | null | null | 1n0r(0.9854000211) | 1awc(0.9587000012) | 1.10.10.2400;1.25.40.70;1.10.220.10;1.25.10.10;1.25.40.20 | null |
1n0r | 2003-01-28 | other | id:A;type:U;source:unknown;length:127;seq_nat:NGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGAY;seq_unnat:NGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGAY | 13,448.48 | P 21 21 21 | 28.429|46.115|81.588|90.00|90.00|90.00 | X-RAY DIFFRACTION | null | L.K. Mosavi;D.L. Minor Jr.;Z.-Y. Peng | "Consensus-derived structural determinants of the ankyrin repeat motif", Proc.Natl.Acad.Sci.USA, 99, 16029-16034 | 10.1073/pnas.252537899|12461176|0040|0027-8424|PNASA6 | US | 4ank: a designed ankyrin repeat protein with four identical consensus repeats | ank;ankyrin repeat;structural protein | null | null | 2xee(0.9664999843);4qfv(0.9569000006);2xeh(0.9574999809);4gpm(0.9634000063);6fpb(0.9692000151);7ujj(0.9566000104);7z7e(0.9628999829);7zyu(0.9534000158);5hs0(0.9646000266);5eil(0.9546999931);9epa(0.9569000006);7z7c(0.9632999897);7z71(0.9581999779);8aed(0.9514999986);5le7(0.9599000216);7tbn(0.9521999955);5lea(0.9559999704) | null | null | null | 6fpb(0.9692000151) | 1awc(0.8964999914) | 1.25.40.1040;1.10.10.2400;1.10.220.10 | null |
1na0 | 2003-06-03 | other | id:A,B;type:U;source:unknown;length:126;seq_nat:GAMDPGNSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAKQNLGNAKQKQG;seq_unnat:GAMDPGNSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAKQNLGNAKQKQG | 14,369.227 | C 1 2 1 | 102.734|46.560|52.517|90.00|99.11|90.00 | X-RAY DIFFRACTION | null | E. Main;Y. Xiong;M. Cocco;L. D'Andrea;L. Regan | "Design of Stable alpha-Helical Arrays from an Idealized TPR Motif", Structure, 11, 497-508 | 10.1016/S0969-2126(03)00076-5|12737816|2005|0969-2126|STRUE6 | UK | Design of stable alpha-helical arrays from an idealized tpr motif | tpr;de novo protein;design | null | null | null | null | null | null | null | null | null | null |
1na3 | 2003-06-03 | other | id:A,B;type:U;source:unknown;length:92;seq_nat:GAMDPGNSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAKQNLGNAKQKQG;seq_unnat:GAMDPGNSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAKQNLGNAKQKQG | 10,351.989 | P 21 21 21 | 44.986|54.941|66.938|90.00|90.00|90.00 | X-RAY DIFFRACTION | null | E. Main;Y. Xiong;M. Cocco;L. D'Andrea;L. Regan | "Design of Stable alpha-Helical Arrays from an Idealized TPR Motif", Structure, 11, 497-508 | 10.1016/S0969-2126(03)00076-5|12737816|2005|0969-2126|STRUE6 | UK | Design of stable alpha-helical arrays from an idealized tpr motif | tpr;de novo protein;design | null | null | null | null | null | null | null | null | null | null |
1nvo | 2003-03-25 | other | id:A,B;type:U;source:unknown;length:50;seq_nat:XDYLRELLKLELQLIKQYREALEYVKLPVLAKILEDEEKHIEWLETILGX;seq_unnat:(ACE)DYLRELLKLELQLIKQYREALEYVKLPVLAKILEDEEKHIEWLETILG(NH2) | 5,870.894 | null | ||||| | SOLUTION NMR | Chemically synthesized | O. Maglio;F. Nastri;V. Pavone;A. Lombardi;W.F. DeGrado | "Preorganization of molecular binding sites in designed diiron proteins", Proc.Natl.Acad.Sci.USA, 100, 3772-3777 | 10.1073/pnas.0730771100|12655072|0040|0027-8424|PNASA6 | US | Solution structure of a four-helix bundle model, apo-df1 | de novo protein design;alpha-helical bundle;diiron protein model;unknown function | null | null | null | null | null | null | 1jm0(0.8403000236) | 1jgc(0.7386999726) | 1.10.287.110;1.10.287.600;1.20.5.420;1.10.287.660;6.10.140.630;1.10.287.3810;4.10.810.10;1.10.12.10;6.10.140.380;6.10.140.790;1.10.287.690;1.10.287.120;1.20.5.4010;6.10.140.360;1.10.286.70;1.10.287.550;6.10.250.2860;6.10.140.1480;4.10.860.20;1.10.287.230;4.10.860.10;6.10.140.420;1.10.287.910;1.10.287.540;1.10.287.1060;6.10.140.1390;1.10.287.470;6.10.140.820;1.10.287.2460;1.20.5.170;1.10.287.1090;1.20.5.440;6.10.140.150;6.10.140.1560;6.10.140.1050;6.10.250.1120;1.10.287.100;6.10.140.1150;1.10.287.130;6.10.140.430;1.10.287.770;6.10.250.220;1.20.58.90 | null |
1ovr | 2004-05-18 | other | id:A,B,C,D;type:U;source:unknown;length:50;seq_nat:XDYLRELLKLELQLIKQYREALEYVKLPVLAKILEDEEKHIEWLETILGX;seq_unnat:(ACE)DYLRELLKLELQLIKQYREALEYVKLPVLAKILEDEEKHIEWLETILG(NH2) | 5,870.894 | C 2 2 21 | 88.888|149.177|38.578|90.00|90.00|90.00 | X-RAY DIFFRACTION | This protein was chemically synthesized | S. Geremia;L. Di Costanzo;L. Randaccio;D.E. Engel;A. Lombardi;F. Nastri;W.F. DeGrado | "Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography", J.Am.Chem.Soc., 127, 17266-17276 | 10.1021/ja054199x|16332076|0004|0002-7863|JACSAT | US | Crystal structure of four-helix bundle model di-mn(ii)-df1-l13 | alpha-helical bundle;de novo protein;protein design | null | null | 1lt1(0.9991000295);1ovu(0.9848999977);1jm0(0.9653000236) | null | null | null | 1lt1(0.9991000295) | 8qie(0.9118000269) | 6.10.140.730 | null |
1ovu | 2004-04-06 | other | id:A,B,C,D;type:U;source:unknown;length:50;seq_nat:XDYLRELLKLELQAIKQYREALEYVKLPVLAKILEDEEKHIEWLETILGX;seq_unnat:(ACE)DYLRELLKLELQAIKQYREALEYVKLPVLAKILEDEEKHIEWLETILG(NH2) | 5,828.813 | C 2 2 21 | 89.78|147.72|37.60|90|90|90 | X-RAY DIFFRACTION | This protein was chemically synthesized | S. Geremia;L. Di Costanzo;L. Randaccio;D.E. Engel;A. Lombardi;F. Nastri;W.F. DeGrado | "Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography", J.Am.Chem.Soc., 127, 17266-17276 | 10.1021/ja054199x|16332076|0004|0002-7863|JACSAT | US | Crystal structure of four-helix bundle model di-co(ii)-df1-l13a (form i) | alpha-helical bundle;de novo protein;protein design | null | null | 1lt1(0.9879999757);1jm0(0.9714999795);1ec5(0.9552000165);1ovr(0.9846000075);1jmb(0.9592000246) | null | null | null | 1lt1(0.9879999757) | 8qie(0.9164999723) | 6.10.140.730 | null |
1ovv | 2004-04-06 | other | id:A,B,C,D,E,F;type:U;source:unknown;length:50;seq_nat:XDYLRELLKLELQAIKQYREALEYVKLPVLAKILEDEEKHIEWLETILGX;seq_unnat:(ACE)DYLRELLKLELQAIKQYREALEYVKLPVLAKILEDEEKHIEWLETILG(NH2) | 5,828.813 | P 21 21 21 | 36.92|80.05|96.62|90|90|90 | X-RAY DIFFRACTION | This protein was chemically synthesized | S. Geremia;L. Di Costanzo;L. Randaccio;D.E. Engel;A. Lombardi;F. Nastri;W.F. DeGrado | "Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography", J.Am.Chem.Soc., 127, 17266-17276 | 10.1021/ja054199x|16332076|0004|0002-7863|JACSAT | US | Crystal structure of four-helix bundle model di-co(ii)-df1-l13a (form ii) | alpha-helical bundle;de novo protein;protein design | null | null | 1jm0(0.9862999916);1jmb(0.959100008);1ec5(0.9602000117) | null | null | null | 1jm0(0.9862999916) | 8qie(0.8953999877) | 1.10.287.110;1.10.287.600;1.20.5.420;1.10.287.660;4.10.810.10;1.10.287.3810;6.10.140.630;1.10.12.10;6.10.250.2850;6.10.140.790;1.10.287.690;1.20.5.4010;6.10.250.890;1.10.286.70;1.10.287.190;1.10.287.550;6.10.250.870;6.10.250.2860;6.10.140.1480;4.10.860.20;1.10.287.230;6.10.140.460;6.10.250.3140;6.10.140.420;4.10.860.10;1.10.287.540;1.10.287.750;1.10.287.1060;6.10.140.2060;6.10.20.80;6.10.140.1390;1.10.287.470;6.10.140.820;1.10.287.2460;1.20.5.170;6.10.140.1240;1.10.287.1090;1.20.5.440;6.10.140.150;6.10.140.1560;6.10.140.1050;6.10.250.1120;6.10.140.2050;1.10.287.100;6.10.140.1150;6.10.170.10;1.10.287.130;1.10.287.770;6.10.250.220;1.20.58.90;1.10.287.10 | null |
1p68 | 2003-11-11 | other | id:A;type:N;source:Escherichia coli;length:103;seq_nat:MYGKLNDLLEDLQEVLKNLHKNWHGGKDNLHDVDNHLQNVIEDIHDFMQGGGSGGKLQEMMKEFQQVLDELNNHLQGGKHTVHHIEQNIKEIFHHLEELVHR;seq_unnat:MYGKLNDLLEDLQEVLKNLHKNWHGGKDNLHDVDNHLQNVIEDIHDFMQGGGSGGKLQEMMKEFQQVLDELNNHLQGGKHTVHHIEQNIKEIFHHLEELVHR | 11,949.376 | null | ||||| | SOLUTION NMR | null | Y. Wei;S. Kim;D. Fela;J. Baum;M.H. Hecht | "Solution structure of a de novo protein from a designed combinatorial library", Proc.Natl.Acad.Sci.Usa, 100, 13270-13273 | 10.1073/pnas.1835644100|14593201|0040|0027-8424|PNASA6 | US | Solution structure of s-824, a de novo designed four helix bundle | de novo protein;protein;de novo design;four helix bundle | null | null | null | null | null | null | null | null | null | null |
1pbz | 2003-12-09 | other | id:A,B;type:U;source:unknown;length:19;seq_nat:XCGAEAAKAHAKAAEAGCX;seq_unnat:(ACE)CGAEAAKAHAKAAEAGC(NH2) | 1,585.807 | null | ||||| | SOLUTION NMR | Synthesized by solid state methods | M.M. Rosenblatt;J. Wang;K.S. Suslick | "De novo designed cyclic-peptide heme complexes", Proc.Natl.Acad.Sci.USA, 100, 13140-13145 | 10.1073/pnas.2231273100|14595023|0040|0027-8424|PNASA6 | US | De novo designed peptide-metalloporphyrin complex, solution structure | de novo protein;peptide; metalloporphyrin; heme; de novo design | null | null | null | null | null | null | 1pbz(0) | null | 6.10.250.1960;1.20.5.2620;6.10.250.1560;6.10.250.500;6.10.250.740;1.20.5.3960;6.10.250.1210;6.10.250.400;6.10.250.160;6.10.250.490;6.10.250.1590;1.20.5.110;4.10.180.60;6.10.250.3290;6.10.250.1200;1.20.5.460;4.10.180.10;1.20.5.740;6.10.250.1110;1.20.5.510;6.10.250.2050;6.10.250.320;1.20.5.220;1.20.5.640;6.10.250.1990 | null |
1psv | 1998-01-28 | other | id:A;type:U;source:unknown;length:28;seq_nat:KPYTARIKGRTFSNEKELRDFLETFTGR;seq_unnat:KPYTARIKGRTFSNEKELRDFLETFTGR | 3,368.819 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | Sequence selected by dead end elimination | B.I. Dahiyat;C.A. Sarisky;S.L. Mayo | "De novo protein design: towards fully automated sequence selection", J.Mol.Biol., 273, 789-796 | 10.1006/jmbi.1997.1341|9367772|0070|0022-2836|JMOBAK | UK | Computationally designed peptide with a beta-beta-alpha fold selection, nmr, 32 structures | dead end elimination;sequence optimization;protein design;beta-beta-alpha fold;designed peptide | null | null | null | null | null | null | 1mey(0.7817000151) | 1bbo(0.7146000266) | 3.30.160.60 | null |
1pyz | 2004-12-14 | other | id:A,B;type:U;source:unknown;length:11;seq_nat:XESQLHSNKRX;seq_unnat:(ACE)ESQLHSNKR(NH2) | 1,125.24 | P 64 2 2 | 65.536|65.536|23.529|90.00|90.00|120.00 | X-RAY DIFFRACTION | Chemically synthesized | L. Di Costanzo;S. Geremia;L. Randaccio;F. Nastri;O. Maglio;A. Lombardi;V. Pavone | "Miniaturized heme proteins: crystal structure of Co(III)-mimochrome IV", J.Biol.Inorg.Chem., 9, 1017-1027 | 10.1007/s00775-004-0600-x|15551102|2154|0949-8257|JJBCFA | GW | Crystallographic structure of mimochrome iv | metal binding protein;mad on the cobalt edge;miniaturized metalloprotein | null | null | null | null | null | null | 1vl3(0.8332999945) | null | 6.10.250.2830;6.10.250.1110;6.10.250.1560 | null |
1qp6 | 1999-06-09 | other | id:A,B;type:U;source:unknown;length:35;seq_nat:GEVEELEKKFKELWKGPRRGEIEELHKKFHELIKG;seq_unnat:GEVEELEKKFKELWKGPRRGEIEELHKKFHELIKG | 4,258.936 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | The peptide was chemically synthesized. this sequence was designed to fold into a helix-turn-helix peptide that dimerizes to form a four-helix bundle | R.B. Hill;W.F. DeGrado | "Solution Structure of Alpha2D, A Nativelike De Novo Designed Protein", J.Am.Chem.Soc., 120, 1138-1145 | 10.1021/ja9733649|-1|0004|0002-7863|JACSAT | US | Solution structure of alpha2d | four-helix bundle;protein design;helix-turn-helix;bisecting u motif;de novo protein;protein folding;de novo design | null | null | null | null | null | null | 6egc(0.7483000159) | null | 1.20.5.170;6.10.140.360;6.10.250.3130;1.20.5.800 | null |
1qys | 2003-11-25 | other | id:A;type:N;source:Computationally Designed Sequence;length:107;seq_nat:MGDIQVQVNIDDNGKNFDYTYTVTTESELQKVLNELMDYIKKQGAKRVRISITARTKKEAEKFAAILIKVFAELGYNDINVTFDGDTVTVEGQLEGGSLEHHHHHH;seq_unnat:(MSE)GDIQVQVNIDDNGKNFDYTYTVTTESELQKVLNEL(MSE)DYIKKQGAKRVRISITARTKKEAEKFAAILIKVFAELGYNDINVTFDGDTVTVEGQLEGGSLEHHHHHH | 12,130.249 | P 32 2 1 | 35.900|35.900|140.554|90.00|90.00|120.00 | X-RAY DIFFRACTION | null | B. Kuhlman;G. Dantas;G.C. Ireton;G. Varani;B.L. Stoddard;D. Baker | "Design of a Novel Globular Protein Fold with Atomic-Level Accuracy", Science, 302, 1364-1368 | 10.1126/science.1089427|14631033|0038|0036-8075|SCIEAS | US | Crystal structure of top7: a computationally designed protein with a novel fold | de novo protein;alpha-beta;novel fold;computationally designed | null | null | null | null | null | null | 2jvf(0.8180999756) | 1dus(0.5141000152) | 3.30.420.40;3.30.70.240;3.30.160.110;3.30.1710.10;3.10.20.10;3.30.420.270;3.30.750.24;3.30.110.10 | null |
1rh4 | 1998-12-02 | other | id:A;type:D;source:synthetic construct;length:35;seq_nat:XAALAQIKKEIAYLLAKIKAEILAALKKIKQEIAX;seq_unnat:(ACE)AALAQ(IIL)KKEIAYLLAK(IIL)KAEILAALKK(IIL)KQEIA(NH2) | 3,637.529 | P 4 21 2 | 37.556|37.556|53.384|90.00|90.00|90.00 | X-RAY DIFFRACTION | null | P.B. Harbury;J.J. Plecs;B. Tidor;T. Alber;P.S. Kim | "High-resolution protein design with backbone freedom", Science, 282, 1462-1467 | 10.1126/science.282.5393.1462|9822371|0038|0036-8075|SCIEAS | US | Rh4 designed right-handed coiled coil tetramer | de novo design;coiled coil | null | null | 1tgg(0.9950000048);2o6n(0.9965000153) | null | 1rh4(0) | null | 2o6n(0.9965000153) | null | 6.10.250.770;1.20.5.420;1.20.5.430;1.20.5.2620;1.20.5.1450;1.20.5.700;6.10.250.2150;6.10.250.200;6.10.250.880;6.10.250.2720;1.20.5.3960;6.10.250.2060;6.10.250.1090;6.10.250.2370;6.10.250.1210;6.10.250.1020;6.10.250.1440;1.20.5.1610;6.10.250.160;6.10.250.850;6.10.250.490;6.10.250.380;1.20.5.110;1.20.5.250;1.20.5.460;1.20.5.740;6.10.250.450;1.20.5.170;6.10.250.410;6.10.250.860;6.10.250.2550;1.20.5.100;1.20.5.70;1.20.5.510;6.10.250.2580;6.10.250.320;6.10.250.3070;1.20.5.1190;6.10.250.270;1.20.5.220;1.20.5.590;1.20.5.140;6.10.250.2330 | null |
1s9z | 2004-04-06 | other | id:A;type:U;source:unknown;length:18;seq_nat:XSIRELEARIRELELRIG;seq_unnat:(ACE)SIRELEARIRELELRIG | 2,083.438 | P 63 | 22.274|22.274|52.547|90.00|90.00|120.00 | X-RAY DIFFRACTION | De novo design | R.A. Kammerer;D. Kostrewa;J. Zurdo;A. Detken;J.D. Green;B.H. Meier;F.K. Winkler;C.M. Dobson;M.O. Steinmetz | "Exploring amyloid formation by a de novo design", Proc.Natl.Acad.Sci.USA, 101, 4435-4440 | 10.1073/pnas.0306786101|15070736|0040|0027-8424|PNASA6 | US | Synthetic 17 amino acid long peptide that forms a native-like coiled-coil at ambient temperature and aggregates into amyloid-like fibrils at higher temperatures | de novo protein | null | null | null | null | null | null | 1s9z(0) | null | 6.10.250.1960;1.20.5.2620;6.10.250.1560;6.10.250.740;1.20.5.3960;6.10.250.1210;6.10.250.400;6.10.250.160;6.10.250.490;6.10.250.1590;6.10.250.1870;4.10.180.60;6.10.250.3290;6.10.250.1200;1.20.5.460;4.10.180.10;1.20.5.740;6.10.250.1110;1.20.5.510;6.10.250.2050;6.10.250.320;1.20.5.220;1.20.5.640;6.10.250.1990 | null |
1sn9 | 2004-08-17 | other | id:A,B,C,D;type:U;source:unknown;length:23;seq_nat:XYRIPSYDFADELAKLLRQAAGX;seq_unnat:(ACE)YRI(DPR)SYDF(DAL)DELAKLLRQA(DBZ)G(NH2) | 2,543.876 | P 21 21 2 | 38.939|56.172|32.320|90.00|90.00|90.00 | X-RAY DIFFRACTION | The protein was chemically synthesized | M.H. Ali;E. Peisach;K.N. Allen;B. Imperiali | "X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture", Proc.Natl.Acad.Sci.USA, 101, 12183-12188 | 10.1073/pnas.0401245101|15302930|0040|0027-8424|PNASA6 | US | An oligomeric domain-swapped beta-beta-alpha mini-protein | oligomerization;domain swapping;protein design;mini-protein;de novo protein | null | null | 1sne(1);1sna(0.9983999729);1xof(0.9805999994) | null | null | null | 1sne(1) | null | 6.10.250.1960;1.20.5.2620;6.10.250.1560;1.20.5.3960;6.10.250.1210;6.10.250.400;6.10.250.160;6.10.250.490;6.10.250.1590;4.10.180.60;1.20.5.460;4.10.180.10;1.20.5.740;6.10.250.300;6.10.250.1110;6.10.250.2050;6.10.250.2830;1.20.5.220;1.20.5.640;6.10.250.1990 | null |
1sna | 2004-08-17 | other | id:A,B,C,D;type:U;source:unknown;length:23;seq_nat:XYRIPSYDFADELMKLLRQAAGX;seq_unnat:(ACE)YRI(DPR)SYDF(DAL)DEL(MSO)KLLRQA(DBZ)G(NH2) | 2,666.889 | C 1 2 1 | 50.027|46.868|31.426|90.00|98.61|90.00 | X-RAY DIFFRACTION | The protein was chemically synthesized | M.H. Ali;E. Peisach;K.N. Allen;B. Imperiali | "X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture", Proc.Natl.Acad.Sci.Usa, 101, 12183-12188 | 10.1073/pnas.0401245101|15302930|0040|0027-8424|PNASA6 | US | An oligomeric domain-swapped beta-beta-alpha mini-protein | oligomerization;domain swapping;protein design;mini-protein;de novo protein | null | null | 1sn9(0.9983999729);1sne(0.9958000183);1xof(0.980799973) | null | null | null | 1sn9(0.9983999729) | null | null | null |
1sne | 2004-08-17 | other | id:A,B;type:U;source:unknown;length:23;seq_nat:XYRIPSYDFADELAKLLRMAAGX;seq_unnat:(ACE)YRI(DPR)SYDF(DAL)DELAKLLR(MSO)A(DBZ)G(NH2) | 2,609.838 | C 1 2 1 | 57.912|21.325|31.896|90.00|121.32|90.00 | X-RAY DIFFRACTION | The protein was chemically synthesized | M.H. Ali;E. Peisach;K.N. Allen;B. Imperiali | "X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture", Proc.Natl.Acad.Sci.Usa, 101, 12183-12188 | 10.1073/pnas.0401245101|15302930|0040|0027-8424|PNASA6 | US | An oligomeric domain-swapped beta-beta-alpha mini-protein | oligomerization;domain swapping;protein design;mini-protein;de novo protein | null | null | 1sn9(1);1sna(0.9958000183);1xof(0.9674999714) | null | null | null | 1sn9(1) | null | 6.10.250.1960;6.10.250.1110;6.10.250.1210;4.10.180.60;6.10.250.400;4.10.180.10;6.10.250.1560;1.20.5.640 | null |
1t8j | 2004-05-25 | other | id:A;type:U;source:unknown;length:25;seq_nat:XYRVPSYDFSRSDELAKLLRQHAGX;seq_unnat:(ACE)YRV(DPR)SYDFSRSDELAKLLRQHAG(NH2) | 2,738.069 | null | ||||| | SOLUTION NMR | The protein was chemically synthesized | M.D. Struthers;J.J. Ottesen;B. Imperiali | "Design and NMR Analyses of Compact, Independently Folded BBA Motifs", Fold.Des., 3, 95-103 | 10.1016/S1359-0278(98)00015-7|9565754||1359-0278| | UK | Nmr structure of bba5, a compact, independently folded bba motif | protein design;de novo protein;beta beta alpha;mini-protein | null | null | null | null | null | null | 1hcw(0.7574999928) | null | 4.10.180.60;1.20.5.640;4.10.180.10 | null |
1tgg | 2004-10-12 | other | id:A,B,C;type:U;source:unknown;length:34;seq_nat:XAEIEQIKKEIAYLIKKIKEEILEEIKKIKQEIA;seq_unnat:(ACE)AE(IIL)EQ(IIL)KKEIAYL(IIL)KK(IIL)K(CGU)EIL(CGU)E(IIL)KK(IIL)KQEIA | 4,075.822 | P 32 | 25.42|25.42|141.34|90.00|90.00|120.00 | X-RAY DIFFRACTION | Chemical peptide synthesis | J.J. Plecs;P.B. Harbury;P.S. Kim;T. Alber | "Structural test of the parameterized-backbone method for protein design", J.Mol.Biol., 342, 289-297 | 10.1016/j.jmb.2004.06.051|15313624|0070|0022-2836|JMOBAK | UK | Rh3 designed right-handed coiled coil trimer | de novo protein;coiled coil; de novo design | null | null | 2o6n(0.9862999916);1rh4(0.9933999777) | null | null | null | 1rh4(0.9933999777) | null | 6.10.250.1960;1.20.5.420;1.20.5.2620;1.20.5.1450;6.10.250.1560;6.10.250.1210;6.10.250.160;6.10.250.490;1.20.5.110;6.10.250.1870;6.10.250.3290;1.20.5.460;4.10.180.10;1.20.5.740;1.20.5.100;6.10.250.1110;1.20.5.510;1.20.5.220;1.20.5.640 | null |
1tjb | 2004-08-03 | other | id:A,B;type:U;source:unknown;length:18;seq_nat:YIDTNNDGWYEGDELLAX;seq_unnat:YIDTNNDGWYEGDELLA(NH2) | 1,986.036 | C 1 2 1 | 52.160|22.270|30.030|90.00|103.89|90.00 | X-RAY DIFFRACTION | Peptide prepared by automated solid phase peptide synthesis | M. Nitz;M. Sherawat;K.J. Franz;E. Peisach;K.N. Allen;B. Imperiali | "Structural Origin of the High Affinity of a Chemically Evolved Lanthanide-Binding Peptide", Angew.Chem.Int.Ed.Engl., 43, 3682-3685 | 10.1002/anie.200460028|15248272|0179|0570-0833|ACIEAY | GE | Crystal structure of a high affinity lanthanide-binding peptide (lbt) | lanthanide-based resonance energy transfer;troponin based design;lanthanide binding tag;fluorescence;ef-hand;de novo protein | null | null | null | null | null | null | 2lr2(0.8822000027) | null | null | null |
1u0i | 2004-10-19 | other | id:A;type:U;source:unknown;length:21;seq_nat:EIAALEKEIAALEKEIAALEK;seq_unnat:EIAALEKEIAALEKEIAALEK|id:B;type:U;source:unknown;length:21;seq_nat:KIAALKEKIAALKEKIAALKE;seq_unnat:KIAALKEKIAALKEKIAALKE | 2,285.651 | null | ||||| | SOLUTION NMR | The peptide was chemically synthesized using t-butyloxycarbonyl solid-phase technique | D.A. Lindhout;J.R. Litowski;P. Mercier;R.S. Hodges;B.D. Sykes | "NMR solution structure of a highly stable de novo heterodimeric coiled-coil", Biopolymers, 75, 367-375 | 10.1002/bip.20150|15457434|0161|0006-3525|BIPMAA | US | Iaal-e3/k3 heterodimer | de novo protein;coiled-coil | null | null | null | null | null | null | 1u0i(0) | null | 6.10.250.1960;6.10.250.1110;6.10.250.1090;1.20.5.420;6.10.250.2050;4.10.180.60;6.10.250.400;1.20.5.460;4.10.180.10;6.10.250.1560;1.20.5.220;1.20.5.640 | null |
1u2u | 2004-10-05 | other | id:A;type:U;source:unknown;length:32;seq_nat:XEVAQLEKEVAQLEAENYQLEQEVAQLEHEGX;seq_unnat:(ACE)EVAQLEKEVAQLEAENYQLEQEVAQLEHEG(NH2)|id:B;type:U;source:unknown;length:32;seq_nat:XEVQALKKRVQALKARNYALKQKVQALRHKGX;seq_unnat:(ACE)EVQALKKRVQALKARNYALKQKVQALRHKG(NH2) | 3,480.719 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | Synthetic peptide based on the sequence of the leucine zipper domain in gcn4 (baker's yeast) | D.N. Marti;H.R. Bosshard | "Inverse electrostatic effect: electrostatic repulsion in the unfolded state stabilizes a leucine zipper", Biochemistry, 43, 12436-12447 | 10.1021/bi048771t|15449933|0033|0006-2960|BICHAW | US | Nmr solution structure of a designed heterodimeric leucine zipper | inter-helical ion pairing;electrostatic interactions;transcription;leucine zipper;coiled coil | null | null | null | null | null | null | 1kdd(0.9042000175) | 1ij2(0.8952999711) | 6.10.250.770;1.20.5.420;1.20.5.430;1.20.5.1450;6.10.250.1140;6.10.250.200;6.10.250.880;6.10.250.2720;6.10.250.2060;6.10.250.1020;6.10.250.10;1.20.5.1610;6.10.250.160;6.10.250.850;6.10.250.380;6.10.250.1040;1.20.5.110;1.20.5.250;1.20.5.460;1.20.5.740;6.10.250.450;1.20.5.170;1.20.5.490;1.20.5.100;6.10.250.2270;1.20.5.510;6.10.250.1330;6.10.250.3070;1.20.5.220;6.10.250.270;6.10.250.410;1.20.5.1190;1.20.5.140;6.10.250.2330 | null |
1uw1 | 2004-03-26 | other | id:A;type:D;source:SYNTHETIC CONSTRUCT;length:80;seq_nat:GAMDYKDDDDKKTNWLKRIYRVRPCVKCKVAPRNWKVKNKHLRIYNMCKTCFNNSIDIGDDTYHGHDDWLMYADSKEISN;seq_unnat:GAMDYKDDDDKKTNWLKRIYRVRPCVKCKVAPRNWKVKNKHLRIYNMCKTCFNNSIDIGDDTYHGHDDWLMYADSKEISN | 9,605.979 | P 32 2 1 | 71.077|71.077|54.883|90.00|90.00|120.00 | X-RAY DIFFRACTION | null | P. Lo Surdo;M.A. Walsh;M. Sollazzo | "A Novel Adp- and Zinc-Binding Fold from Function-Directed in Vitro Evolution", Nat.Struct.Mol.Biol., 11, 382 | 10.1038/NSMB745|15024384||1545-9993| | US | A novel adp- and zinc-binding fold from function-directed in vitro evolution | de novo protein;in vitro evolution;nucleotide binding protein;artificial nucleotide binding protein | 3ltb(179);3lt9(179);3ltc(179);3lt8(179);3ltd(179);3lta(177) | null | 3ltb(0.9746999741);3ltc(0.9739999771);3lt8(0.9789999723);3lt9(0.9789999723);3ltd(0.9771000147);3lta(0.9743000269) | null | 3ltb(179) | null | 3lt8(0.9789999723) | 8v0d(0.4756000042) | 3.10.450.750;3.10.450.210 | null |
1v1d | 2005-04-14 | other | id:A;type:U;source:unknown;length:31;seq_nat:APLEPEYPGDNATPEQMHQYAHQLRRYINML;seq_unnat:APLEPEYPGDNATPEQMHQYAHQLRRYINML | 3,688.11 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | null | A. Nicoll;R.K. Allemann | "Nucleophilic and General Acid Catalysis at Physiological Ph by a Designed Miniature Esterase", Org.Biomol.Chem., 2, 2175 | 10.1039/B404730C|15280952||1477-0520| | UK | Nucleophilic and general acid catalysis at physiological ph by a designed miniature esterase | pancreas;hormone;cleavage on pair of basic residues | null | null | null | null | null | null | null | null | null | null |
1vl3 | 2004-07-20 | other | id:A,B;type:U;source:unknown;length:11;seq_nat:XESQLHSNKRX;seq_unnat:(ACE)ESQLHSNKR(NH2) | 1,125.24 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | The peptide was chemically synthesized | A. Lombardi;F. Nastri;D. Marasco;O. Maglio;G. De Sanctis;F. Sinibaldi;R. Santucci;M. Coletta;V. Pavone | "Design of a New Mimochrome with Unique Topology", Chemistry, 9, 5643-5654 | |14639648||0947-6539| | GE | Design of new mimochromes with unique topology | miniaturized metalloproteins;de novo protein;design;alpha-helix | null | null | null | null | null | null | 1pyz(0.8332999945) | null | 6.10.250.1560 | null |
1vrz | 2005-11-01 | other | id:A;type:U;source:unknown;length:23;seq_nat:XGFAFFAFFAGGGGFALFALFAX;seq_unnat:(ACE)G(23F)A(23F)(23F)A(23F)(23F)AGGGG(23F)AL(23F)AL(23F)A(NH2) | 2,141.365 | C 1 2 1 | 46.651|20.987|14.449|90.00|94.66|90.00 | X-RAY DIFFRACTION | The peptide is chemicaly syntheised by solid phase manual peptide synthesis using fmoc chemistry | null | "De Novo Design and Characterization of a Helical Hairpin Eicosapeptide; Emergence of an Anion Receptor in the Linker Region", Structure, 12, 389-396 | 10.1016/j.str.2004.02.014|15016355|2005|0969-2126|STRUE6 | UK | Helix turn helix motif | de novo protein;helix-turn-helix motif;hth | null | null | null | null | null | null | 1vrz(0) | null | null | null |
1xof | 2005-02-01 | other | id:A;type:U;source:unknown;length:22;seq_nat:XYRIPSYDFADEAEKLLRDAAG;seq_unnat:(ACE)YRI(DPR)SYDF(DAL)DEAEKLLRDA(DBZ)G|id:B;type:U;source:unknown;length:22;seq_nat:XYRIPSYDFADKFKKLLRKAAG;seq_unnat:(ACE)YRI(DPR)SYDF(DAL)DKFKKLLRKA(DBZ)G | 2,548.783 | P 31 2 1 | 41.695|41.695|51.332|90.00|90.00|120.00 | X-RAY DIFFRACTION | Chemical synthesis | M.H. Ali;C.M. Taylor;G. Grigoryan;K.N. Allen;B. Imperiali;A.E. Keating | "Design of a Heterospecific, Tetrameric, 21-Residue Miniprotein with Mixed alpha/beta Structure", Structure, 13, 225-234 | 10.1016/j.str.2004.12.009|15698566|2005|0969-2126|STRUE6 | UK | Heterooligomeric beta beta alpha miniprotein | protein design;de novo protein;heterooligomer;heterotetramer | null | null | 1sn9(0.9815999866);1sna(0.9818000197);1sne(0.9678000212) | null | null | null | 1sna(0.9818000197) | null | 6.10.250.1960;6.10.250.1110;6.10.250.2050;4.10.180.60;4.10.180.10;6.10.250.2830;6.10.250.1560;6.10.250.300;1.20.5.220;1.20.5.640 | null |
1y47 | 2005-03-22 | other | id:A,B;type:U;source:unknown;length:46;seq_nat:DYLRELYKLEQQAMKLYREASERVGDPVLAKILEDEEKHIEWLETI;seq_unnat:DYLRELYKLEQQAMKLYREASERVGDPVLAKILEDEEKHIEWLETI | 5,600.354 | P 21 21 2 | 48.274|39.017|46.891|90.00|90.00|90.00 | X-RAY DIFFRACTION | Designed peptide | S.J. Lahr;D.E. Engel;S.E. Stayrook;O. Maglio;B. North;S. Geremia;A. Lombardi;W.F. DeGrado | "Analysis and design of turns in alpha-helical hairpins", J.Mol.Biol., 346, 1441-1454 | 10.1016/j.jmb.2004.12.016|15713492|0070|0022-2836|JMOBAK | UK | Structural studies of designed alpha-helical hairpins | turns;helical hairpin;diiron proteins;protein design;de novo protein | null | null | null | null | null | null | 1jm0(0.9422000051) | 1u7j(0.8637999892) | 6.10.140.1400 | null |
1ymz | 2005-09-27 | other | id:A;type:U;source:unknown;length:43;seq_nat:GSHGRSMPLPPGWERRTDVEGKVYYFNVRTLTTTWERPTIILE;seq_unnat:GSHGRSMPLPPGWERRTDVEGKVYYFNVRTLTTTWERPTIILE | 5,054.719 | null | ||||| | SOLUTION NMR | Computational design | M. Socolich;S.W. Lockless;W.P. Russ;H. Lee;K.H. Gardner;R. Ranganathan | "Evolutionary information for specifying a protein fold", Nature, 437, 512-518 | 10.1038/nature03991|16177782|0006|0028-0836|NATUAS | UK | Cc45, an artificial ww domain designed using statistical coupling analysis | unknown function;computational design;artificial protein | null | null | null | null | null | null | 1e0m(0.7319999933) | 1eg4(0.7695000172) | 2.20.70.10 | null |
1zim | 1997-07-07 | other | id:A,B,C;type:N;source:Saccharomyces cerevisiae;length:34;seq_nat:XRMKQLEDKVEELLSKQYHLENEVARLKKLVGER;seq_unnat:(ACE)RMKQLEDKVEELLSKQYHLENEVARLKKLVGER | 4,045.727 | P 21 21 21 | 36.240|46.610|50.830|90.00|90.00|90.00 | X-RAY DIFFRACTION | null | L. Gonzalez Jr.;D.N. Woolfson;T. Alber | "Buried polar residues and structural specificity in the GCN4 leucine zipper", Nat.Struct.Biol., 3, 1011-1018 | 10.1038/nsb1296-1011|8946854|2024|1072-8368|NSBIEW | US | Gcn4-leucine zipper core mutant asn16gln in the trimeric state | amino-acid biosynthesis;dna-binding;activator;leucine zipper;transcription regulation;nuclear protein;coiled coil | null | null | null | null | null | null | null | null | null | null |
2a3d | 1999-05-05 | other | id:A;type:D;source:synthetic construct;length:73;seq_nat:MGSWAEFKQRLAAIKTRLQALGGSEAELAAFEKEIAAFESELQAYKGKGNPEVEALRKEAAAIRDELQAYRHN;seq_unnat:MGSWAEFKQRLAAIKTRLQALGGSEAELAAFEKEIAAFESELQAYKGKGNPEVEALRKEAAAIRDELQAYRHN | 8,120.127 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | null | S.T. Walsh;H. Cheng;J.W. Bryson;H. Roder;W.F. DeGrado | "Solution structure and dynamics of a de novo designed three-helix bundle protein", Proc.Natl.Acad.Sci.USA, 96, 5486-5491 | 10.1073/pnas.96.10.5486|10318910|0040|0027-8424|PNASA6 | US | Solution structure of a de novo designed single chain three-helix bundle (a3d) | three-helix bundle | 6ds9(117) | null | null | null | 6ds9(117) | null | 8e0l(0.5487999916) | null | 1.20.58.820;1.20.930.10;1.20.58.180;1.20.58.160;1.20.58.1150;1.20.58.1360;1.10.246.120;1.20.1280.130;1.20.58.930;1.10.220.100;1.20.1280.10;1.20.58.200;1.25.40.610;1.20.58.1200;1.10.287.750;1.20.58.420;1.20.58.80;1.20.58.780;1.20.58.220;1.20.1280.20;1.10.287.1170;1.20.1280.310;1.20.58.2070;1.20.58.770;1.20.1280.290;1.20.58.290;1.20.58.90;1.10.1240.10 | null |
2avp | 2005-09-13 | other | id:A;type:U;source:unknown;length:70;seq_nat:GSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRS;seq_unnat:GSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRS | 8,228.75 | P 41 21 2 | 54.245|54.245|71.782|90.00|90.00|90.00 | X-RAY DIFFRACTION | The sequence of the protein was designed and then expressed in e.coli bl21(de3), plasmid pproex-htb | T. Kajander;A.L. Cortajarena;S. Mochrie;L. Regan | "Structure and stability of designed TPR protein superhelices: unusual crystal packing and implications for natural TPR proteins", Acta Crystallogr.,Sect.D, 63, 800-811 | 10.1107/S0907444907024353|17582171|0766|0907-4449|ABCRE6 | DK | Crystal structure of an 8 repeat consensus tpr superhelix | tpr;tetratricopeptide repeat;consensus protein;de novo protein;superhelix | null | null | 2hyz(0.9815999866);8cqq(0.9721000195);8cig(0.9893000126);8bu0(0.9793999791);8chy(0.9846000075);8cqp(0.9815999866);8ckr(0.9790999889);8cp8(0.959100008);2fo7(0.9625999928);2wqh(0.9717000127);6vfh(0.9552999735);6v8e(0.9682999849);6vfk(0.9624000192);5hrz(0.9671000242);8ump(0.9634000063) | null | null | null | 8cig(0.9893000126) | 1wao(0.9462000132) | null | null |
2bkg | 2006-06-21 | other | id:A,B;type:D;source:SYNTHETIC CONSTRUCT;length:168;seq_nat:MRGSHHHHHHGSDLGKKLLEAARAGQDDEVRILMANGADVNAEDTYGDTPLHLAARVGHLEIVEVLLKNGADVNALDFSGSTPLHLAAKRGHLEIVEVLLKYGADVNADDTIGSTPLHLAADTGHLEIVEVLLKYGADVNAQDKFGKTAFDISIDNGNEDLAEILQ;seq_unnat:MRGSHHHHHHGSDLGKKLLEAARAGQDDEVRILMANGADVNAEDTYGDTPLHLAARVGHLEIVEVLLKNGADVNALDFSGSTPLHLAAKRGHLEIVEVLLKYGADVNADDTIGSTPLHLAADTGHLEIVEVLLKYGADVNAQDKFGKTAFDISIDNGNEDLAEILQ | 17,802.809 | P 21 21 21 | 49.579|72.670|83.325|90.00|90.00|90.00 | X-RAY DIFFRACTION | null | H.K. Binz;A. Kohl;A. Pluckthun;M.G. Grutter | "Crystal Structure of a Consensus-Designed Ankyrin Repeat Protein: Implications for Stability", Proteins: Struct., Funct., Bioinf., 65, 280 | 10.1002/PROT.20930|16493627|0867|0887-3585|PSFGEY | US | Crystal structure of e3_19 a designed ankyrin repeat protein | protein stability;consensus design;ankyrin repeat;designed protein;de novo protein | 5oou(293);5op3(293);5oos(290);7dng(289);7dnf(289);8ql6(288);8ql5(288);8ql9(288);5kng(288);9u6a(288);8ql2(288);8ql3(288);9f8g(288);8qlb(288);8qla(288);8ql7(288);8ql8(288);8qea(288);5knh(288);8ql4(288);4dui(288);9fe2(285);9fe3(285);4j7w(282);4j8y(282);6fp9(278);9f22(276);9f07(276);5lw2(271);4ydw(263);9gtk(263);8u1b(263);9dmi(263);8ve7(261);4atz(260);6fpa(260);6fpb(260);6c9k(260);7z7e(259);7b4t(258);7z72(257);7b4w(257);5leb(256);5le9(255);7zyu(253);9g8i(252);2xee(252);9gnb(252);5le6(252);5lea(252);5le7(252);5le8(252);5le2(252);7z71(251);7z7c(251);5le3(251);8aed(248);5lee(248);5led(248);5lec(248);5le4(246);2xeh(244);7dne(243);9ivp(243);9epa(241);9fe1(241);7ujj(239);8a19(239);8a1a(237);8v9o(226);6sa7(225);9s60(222);9irv(222);6sa8(222);6fes(221);6sa6(219);2jab(218);7tbo(213);7qnl(211);7tbq(211);7tbn(211);7tcd(211);8hkh(209);8ak1(203);9f23(201);9f24(199);4qfv(199);4o60(198);7b4v(193);7b4u(193);7z73(189);8rci(186);9fzb(184);9glq(183);4hqd(183);9gau(180);5kba(180);8aiw(179);4gmr(179);4gpm(176);4hb5(174);5hry(171);9f7z(168);5eil(162);5hs0(157);2xen(130);8fre(79) | 9fhc(285);9fhg(285);9fhj(285);9hao(285);9hci(285);2bkk(284);9kcq(283);9kbu(283);1svx(274);1awc(195);1n11(120);1uoh(107);1tr4(107);1qym(107);1mx2(101);1ihb(100);1mx4(100);1g3n(100);1bu9(100);1mx6(97);8uy3(94);9j64(94);1blx(91);1ap7(91);9khf(87);8wfz(87);1wdy(83);1s70(83);1myo(76);2myo(76);1bi7(73);1d9s(71);1dc2(69);2a5e(69);1a5e(69);1k3z(62);1oy3(61);8pef(60);1ycs(57);9isg(56);8ycp(55) | 5oou(0.9728999734);6fp9(0.9627000093);2qyj(0.9671999812);7dnf(0.9603999853);5oos(0.9763000011);9f22(0.9599000216);7dng(0.9587000012);7z7e(0.9682000279);8aed(0.9599000216);8ql2(0.9595000148);6fpb(0.9581000209);9gtk(0.9703999758);1mj0(0.9635999799);5op3(0.9555000067);6fpa(0.9528999925);4j8y(0.9609000087);5knh(0.9600999951);6c9k(0.9690999985);2xeh(0.9546999931);9fe2(0.9667999744);5lw2(0.954400003);7dne(0.9715999961);7z72(0.9573000073);8ql3(0.9581999779);5kng(0.9617000222);4dui(0.9542000294);7b4t(0.9528999925);8qla(0.9588000178);8qlb(0.9556999803);4j7w(0.9556000233);8qea(0.9596999884);8ql6(0.9588999748);8ql7(0.9588999748);7b4w(0.9602000117);5le8(0.9638000131);8ql8(0.9575999975);2xee(0.9566000104);8ql5(0.9559999704);7z7c(0.9552999735);4ydw(0.9616000056);5leb(0.9672999978);8ql4(0.9552999735);5le9(0.9528999925);5lea(0.9570999742);5le7(0.9600999951);9epa(0.9556999803);7z71(0.950699985);5led(0.9531000257);6fes(0.951399982);5le4(0.9527000189);4gpm(0.9577000141);5eil(0.9503999949) | null | 5oou(293) | 9fhc(285) | 5oos(0.9763000011) | 1awc(0.9304999709) | 1.25.40.290;1.25.40.750;1.25.60.10;1.25.40.580;1.25.10.10;1.25.40.180;1.25.40.10;1.25.40.320;1.25.40.350;1.25.40.20 | null |
2cw1 | 2005-12-13 | other | id:A;type:U;source:unknown;length:65;seq_nat:MRKKLDLKKFVEDKNQEYAARALGLSQKLIEEVLKRGLPVYVETNKDGNIKVYITQDGITQPFPP;seq_unnat:MRKKLDLKKFVEDKNQEYAARALGLSQKLIEEVLKRGLPVYVETNKDGNIKVYITQDGITQPFPP | 7,488.702 | null | ||||| | SOLUTION NMR | Chemically synthesized | Y. Isogai;Y. Ito;T. Ikeya;Y. Shiro;M. Ota | "Design of lambda Cro fold: solution structure of a monomeric variant of the de novo protein", J.Mol.Biol., 354, 801-814 | 10.1016/j.jmb.2005.10.005|16289118|0070|0022-2836|JMOBAK | UK | Solution structure of the de novo-designed lambda cro fold protein | de novo protein;lambda cro fold | null | null | null | null | null | null | 9deh(0.4557999969) | 1orc(0.6884999871) | 2.40.50.100;3.30.240.10 | null |
2evq | 2006-03-07 | other | id:A;type:U;source:unknown;length:12;seq_nat:KTWNPATGKWTE;seq_unnat:KTWNPATGKWTE | 1,420.567 | null | ||||| | SOLUTION NMR | Synthesized using automated fmoc chemistry (abi 433a) | N.H. Andersen;K.A. Olsen;R.M. Fesinmeyer;X. Tan;F.M. Hudson;L.A. Eidenschink;S.R. Farazi | "Minimization and Optimization of Designed beta-Hairpin Folds", J.Am.Chem.Soc., 128, 6101-6110 | 10.1021/ja054971w|16669679|0004|0002-7863|JACSAT | US | Solution structure of hp7, a 12-residue beta hairpin | beta hairpin;de novo protein;trp/trp packing | null | null | null | null | null | null | 1n0a(0.7713999748) | null | null | null |
2fo7 | 2006-03-07 | other | id:A;type:U;source:unknown;length:137;seq_nat:AEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRS;seq_unnat:AEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRS | 16,151.237 | P 31 2 1 | 68.550|68.550|67.230|90.00|90.00|120.00 | X-RAY DIFFRACTION | The sequence of the protein was designed and then expressed in e.coli bl21(de3), plasmid pproex-htb | T. Kajander;A.L. Cortajarena;S. Mochrie;L. Regan | "Structure and stability of designed TPR protein superhelices: unusual crystal packing and implications for natural TPR proteins", Acta Crystallogr.,Sect.D, 63, 800-811 | 10.1107/S0907444907024353|17582171|0766|0907-4449|ABCRE6 | DK | Crystal structure of an 8 repeat consensus tpr superhelix (trigonal crystal form) | tpr;tetratricopeptide repeat;consensus protein;de novo protein;superhelix | null | null | 8cp8(0.9808999896);2hyz(0.9749000072);8cmq(0.9702000022);8bu0(0.9545000196);8ckr(0.9666000009);8ch0(0.9700000286);8cqp(0.9717000127);8cig(0.9657999873);8cqq(0.9726999998);8chy(0.9789999723) | null | null | null | 8cp8(0.9808999896) | 1w3b(0.8830999732) | 6.10.250.1590;1.25.40.10;1.25.40.970;1.25.40.440 | null |
2gjh | 2006-10-17 | other | id:A,B;type:U;source:unknown;length:62;seq_nat:MERVRISITARTKKEAEKFAAILIKVFAELGYNDINVTWDGDTVTVEGQLEGGSLEHHHHHH;seq_unnat:MERVRISITARTKKEAEKFAAILIKVFAELGYNDINVTWDGDTVTVEGQLEGGSLEHHHHHH | 7,049.915 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | null | G. Dantas;A.L. Watters;B.M. Lunde;Z.M. Eletr;N.G. Isern;T. Roseman;J. Lipfert;S. Doniach;M. Tompa;B. Kuhlman;B.L. Stoddard;G. Varani;D. Baker | "Mis-translation of a Computationally Designed Protein Yields an Exceptionally Stable Homodimer: Implications for Protein Engineering and Evolution", J.Mol.Biol., 362, 1004-1024 | 10.1016/j.jmb.2006.07.092|16949611|0070|0022-2836|JMOBAK | UK | Nmr structure of cfr (c-terminal fragment of computationally designed novel-topology protein top7) | de novo protein;obligate symmetric homo-dimer | null | null | null | null | null | null | 1qys(0.8173999786) | 1y0h(0.6876000166) | null | null |
2hyz | 2008-02-19 | other | id:A;type:U;source:unknown;length:137;seq_nat:AEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRS;seq_unnat:AEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPRS | 16,151.237 | P 21 21 21 | 36.156|67.695|70.785|90.00|90.00|90.00 | X-RAY DIFFRACTION | The sequence of the protein was designed and then expressed in e.coli bl21(de3), plasmid ppro-xhta | T. Kajander;A.L. Cortajarena;S. Mochrie;L. Regan | "Structure and stability of designed TPR protein superhelices: unusual crystal packing and implications for natural TPR proteins", Acta Crystallogr.,Sect.D, 63, 800-811 | 10.1107/S0907444907024353|17582171|0766|0907-4449|ABCRE6 | DK | Crystal structure of an 8 repeat consensus tpr superhelix (orthorombic crystal form) | tetratricopeptide;tpr;protein stability;protein design;de novo protein;superhelix | null | null | 8bu0(0.9855999947);8cp8(0.9778000116);8cqp(0.9937000275);8cig(0.980700016);8ckr(0.9822000265);8cmq(0.9616000056);8ch0(0.9618999958);8chy(0.9811999798);8cqq(0.9833999872);2fo7(0.9731000066) | null | null | null | 8cqp(0.9937000275) | 1w3b(0.8992000222) | 1.25.40.440;1.20.5.420;1.25.40.970;1.25.40.10;1.25.40.1040;1.10.10.1270 | null |
2jab | 2007-05-08 | other | id:A,B,C;type:D;source:SYNTHETIC CONSTRUCT;length:137;seq_nat:MRGSHHHHHHGSDLGKKLLEAARAGQDDEVRILMANGADVNAKDEYGLTPLYLATAHGHLEIVEVLLKNGADVNAVDAIGFTPLHLAAFIGHLEIAEVLLKHGADVNAQDKFGKTAFDISIGNGNEDLAEILQKLN;seq_unnat:MRGSHHHHHHGSDLGKKLLEAARAGQDDEVRILMANGADVNAKDEYGLTPLYLATAHGHLEIVEVLLKNGADVNAVDAIGFTPLHLAAFIGHLEIAEVLLKHGADVNAQDKFGKTAFDISIGNGNEDLAEILQKLN | 14,618.437 | C 1 2 1 | 152.080|52.191|70.164|90.00|105.19|90.00 | X-RAY DIFFRACTION | null | C. Zahnd;E. Wyler;J.M. Schwenk;D. Steiner;M.C. Lawrence;N.M. Mckern;F. Pecorari;C.W. Ward;T.O. Joos;A. Pluckthun | "A Designed Ankyrin Repeat Protein Evolved to Picomolar Affinity to Her2", J.Mol.Biol., 369, 1015 | 10.1016/J.JMB.2007.03.028|17466328|0070|0022-2836|JMOBAK | UK | A designed ankyrin repeat protein evolved to picomolar affinity to her2 | her2;membrane protein;darpin;ankyrin repeat protein;de novo protein;human epidermal growth factor receptor 2 | 8ql6(227);8ql5(227);8ql9(227);9u6a(227);8ql2(227);8ql3(227);9f8g(227);8qlb(227);8qla(227);8ql7(227);8ql8(227);8qea(227);8ql4(227);4dui(227);5oou(226);5op3(225);5oos(224);4j7w(221);4j8y(220);9f23(219);2bkg(219);9fe2(219);9fe3(219);7dng(218);7dnf(218);8hkh(217);5kng(216);5knh(216);5lw2(214);8ak1(212);6fp9(211);4ydw(210);7z73(208);8u1b(206);9dmi(206);7b4v(204);7b4u(204);9f07(203);9f24(199);8rci(199);7b4w(199);7z72(198);9fzb(196);7zyu(194);5le9(194);5lea(194);5leb(193);7z7e(192);9gtk(192);7b4t(191);5le8(191);5le2(191);9gnb(190);6fpa(190);6fpb(190);6c9k(190);5lee(190);5led(190);5lec(190);4atz(189);5le6(189);5le7(189);8aiw(188);7z71(188);5le3(188);5le4(188);9f22(186);7dne(186);9glq(185);7z7c(185);9gau(184);9g8i(184);8aed(184);8ve7(184);2xee(182);9epa(180);9fe1(180);9ivp(178);8a1a(178);2xeh(177);8a19(174);7ujj(170);6fes(167);9s60(166);9irv(165);7qnl(164);8v9o(164);7tbo(164);7tbq(164);7tbn(164);6sa6(164);7tcd(164);6sa7(164);9f7z(163);6sa8(163);4o60(145);4qfv(145);2xen(142);5kba(130);4gmr(129);4hqd(127);4gpm(124);5hry(124);4hb5(124);5eil(118);5hs0(107);8fre(61) | 9fhc(219);2j8s(219);9fhg(219);9fhj(219);9hao(219);9hci(219);9kcq(218);1svx(218);9kbu(218);2bkk(217);1awc(145);1n11(89);1uoh(84);1tr4(84);1qym(84);2dvw(84);1s70(80);1myo(77);2myo(77);1bd8(75);1bi8(75);1mx4(74);9l9i(73);1blx(72);1ap7(72);8uy3(68);9j64(68);1bi7(67);1d9s(66);9khf(65);8wfz(65);2f8y(64);2he0(64);1yyh(64);2f8x(64);1wdy(64);1dc2(63);2a5e(63);1a5e(63);8pef(61);1ot8(61);1ymp(60);1ixv(57);1k1a(57);1k1b(57);1wg0(57) | null | null | 8ql6(227) | 9fhc(219) | 7z73(0.9253000021) | 2bkk(0.8812999725) | 1.10.10.2400;1.10.220.10 | null |
2jgo | 2007-07-10 | other | id:A,B,C;type:U;source:unknown;length:31;seq_nat:XEWEALEKKCAALESKLQALEKKLEALEHGX;seq_unnat:(ACE)EWEALEKKCAALESKLQALEKKLEALEHG(NH2) | 3,325.85 | C 1 2 1 | 77.284|29.416|44.197|90.00|119.49|90.00 | X-RAY DIFFRACTION | null | D.S. Touw;C.E. Nordman;J.A. Stuckey;V.L. Pecoraro | "Identifying Important Structural Characteristics of Arsenic Resistance Proteins by Using Designed Three-Stranded Coiled Coils", Proc.Natl.Acad.Sci.USA, 104, 11969 | 10.1073/PNAS.0701979104|17609383|0040|0027-8424|PNASA6 | US | Structure of the arsenated de novo designed peptide coil ser l9c | three-stranded coiled coil;de novo protein;de novo design;arsenic(iii) binding protein | 2x6p(51);5u9t(51);5u9u(51);3pbj(51);5k92(51) | null | 3ljm(1);3h5f(1);3h5g(1);5k92(1);5u9t(1);5u9u(0.9983999729);1cos(0.9879000187);3pbj(0.9842000008);2x6p(0.9973000288);5uxt(0.9940000176);6osd(0.9914000034);6v57(0.991599977);6q1w(0.9970999956);6u47(0.9911000133);6v5g(0.9970999956);6v5i(0.9941999912);6v5j(0.9970999956);6os8(0.9909999967);6ovu(0.9898999929);6v50(0.9900000095);6ovv(0.991599977);6ovs(0.9925000072);6q22(0.9911000133);6q25(0.9901999831);6v58(0.992299974);6egn(0.9559999704);6v4y(0.9940999746);6ov9(0.991599977);1coi(0.9599000216);6q5r(0.9559999704);5vte(0.9937999845);6q5s(0.9542999864);1fmh(0.9618999958);6q5q(0.951300025);5kb0(0.9542000294) | null | 2x6p(51) | null | 3ljm(1) | null | 6.10.250.770;1.20.5.420;1.20.5.430;1.20.5.2620;1.20.5.1450;1.20.5.700;6.10.250.500;6.10.250.200;6.10.250.2150;6.10.250.880;6.10.250.270;1.20.5.3960;6.10.250.2060;6.10.250.1090;6.10.250.2370;6.10.250.2720;6.10.250.1210;1.20.5.470;6.10.250.1020;6.10.250.1440;6.10.250.10;1.20.5.1610;6.10.250.160;6.10.250.850;6.10.250.490;6.10.250.380;1.20.5.110;1.20.5.250;6.10.250.3290;6.10.250.30;1.20.5.460;1.20.5.740;6.10.250.450;1.20.5.170;6.10.250.860;1.20.5.100;6.10.250.2270;6.10.250.2250;1.20.5.510;6.10.250.1330;6.10.250.2580;6.10.250.320;6.10.250.3070;1.20.5.1190;1.20.5.220;6.10.250.410;1.20.5.590;1.20.5.140;6.10.250.2330 | null |
2jof | 2008-03-04 | other | id:A;type:U;source:unknown;length:20;seq_nat:DAYAQWLKDGGPSSGRPPPS;seq_unnat:DAYAQWLKDGGPSSGRPPPS | 2,088.238 | null | ||||| | SOLUTION NMR | null | B. Barua;J.C. Lin;V.D. Williams;P. Kummler;J.W. Neidigh;N.H. Andersen | "The Trp-cage: optimizing the stability of a globular miniprotein", Protein Eng.Des.Sel., 21, 171-185 | 10.1093/protein/gzm082|18203802||1741-0126| | UK | The trp-cage: optimizing the stability of a globular miniprotein | miniprotein;two-state folding;de novo protein;trp-cage | null | null | null | null | 6d37(33) | 1rij(40) | 1l2y(0.9168000221) | 1jrj(0.7875999808) | 6.10.250.1960;6.10.250.2050;4.10.180.60;1.20.5.640;4.10.180.10;6.10.250.2830;6.10.250.1560;6.10.250.1110 | null |
2jre | 2008-07-01 | other | id:A;type:U;source:unknown;length:109;seq_nat:GSHGYSDASGFSLYSVELFREKDTSSLGISISGMRDQSTTGEATGIYVKSLIPGSAAALDGRIEPNDKILRVDDVNVQGMAQSDVVEVLRNAGNPVRLLLIRRLPLLE;seq_unnat:GSHGYSDASGFSLYSVELFREKDTSSLGISISGMRDQSTTGEATGIYVKSLIPGSAAALDGRIEPNDKILRVDDVNVQGMAQSDVVEVLRNAGNPVRLLLIRRLPLLE | 11,589.026 | null | ||||| | SOLUTION NMR | The peptide is a synthetic construct designed using statistical coupling analysis and expressed in escherichia coli bl21 cells using the phis8.3 vector | C. Larson;M. Stiffler;P. Li;M. Rosen;G. MacBeath;R. Ranganathan | To be published | |||| | null | C60-1, a pdz domain designed using statistical coupling analysis | c60-1;pdz;de novo protein | null | null | null | null | null | null | 6nek(0.5345000029) | 1ihj(0.7225000262) | 2.30.42.10 | null |
2jst | 2008-05-27 | other | id:A,B;type:U;source:unknown;length:62;seq_nat:MKKLREEAAKLFEEWKKLAEEAAKLLEGGGGGGGGELMKLCEEAAKKAEELFKLAEERLKKL;seq_unnat:MKKLREEAAKLFEEWKKLAEEAAKLLEGGGGGGGGELMKLCEEAAKKAEELFKLAEERLKKL | 6,877.092 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | null | T. Cui;V. Bondarenko;D. Ma;C. Canlas;N.R. Brandon;J.S. Johansson;Y. Xu;P. Tang | "Four-alpha-helix bundle with designed anesthetic binding pockets. Part II: halothane effects on structure and dynamics", Biophys.J., 94, 4464-4472 | 10.1529/biophysj.107.117853|18310239|0030|0006-3495|BIOJAU | US | Four-alpha-helix bundle with designed anesthetic binding pockets ii: halothane effects on structure and dynamics | alpha helix;homo dimer;de novo protein;four-alpha-helix bundle;anesthetic binding | null | null | null | null | null | null | 8u5w(0.6887000203) | 2i7u(0.7214999795) | 1.10.287.110;1.10.287.600;1.20.5.420;1.10.287.660;6.10.140.630;6.10.140.1300;1.10.287.3810;6.10.140.380;6.10.140.790;1.10.287.690;1.10.287.120;6.10.250.980;1.10.287.140;1.20.20.10;1.10.287.550;6.10.250.2860;4.10.860.20;1.10.287.230;6.10.250.1010;6.10.280.110;6.10.140.1320;4.10.860.10;1.10.287.540;1.10.287.750;6.10.140.420;1.10.287.850;1.10.287.740;6.10.140.1790;1.10.287.380;1.10.287.1060;6.10.140.1390;1.10.287.470;6.10.140.820;1.10.287.170;1.20.5.170;6.10.280.170;1.20.5.440;6.10.280.160;1.20.58.1710;1.10.287.80;1.20.120.1490;6.10.140.1340;1.10.287.990;1.10.287.1140;1.20.58.850;1.20.58.340;1.20.58.1000;1.10.287.130;6.10.280.80;6.10.280.190;6.10.140.1530;1.10.287.770;6.10.250.220;1.20.58.90 | null |
2jua | 2008-05-20 | other | id:A;type:U;source:unknown;length:103;seq_nat:MYGKLNDLLEDLQEVLKHVNQHWQGGQKNMNKVDHHLQNVIEDIHDFMQGGGSGGKLQEMMKEFQQVLDEIKQQLQGGDNSLHNVHENIKEIFHHLEELVHR;seq_unnat:MYGKLNDLLEDLQEVLKHVNQHWQGGQKNMNKVDHHLQNVIEDIHDFMQGGGSGGKLQEMMKEFQQVLDEIKQQLQGGDNSLHNVHENIKEIFHHLEELVHR | 11,946.391 | null | ||||| | SOLUTION NMR | null | A. Go;S. Kim;J. Baum;M.H. Hecht | "Structure and dynamics of de novo proteins from a designed superfamily of 4-helix bundles", Protein Sci., 17, 821-832 | 10.1110/ps.073377908|18436954|0795|0961-8368|PRCIEI | US | Assignment, structure, and dynamics of de novo designed protein s836 | de novo protein | null | null | null | null | null | null | 8qup(0.58950001) | 8ube(0.5958999991) | 1.20.58.820;1.20.1440.140;1.20.5.420;1.20.58.160;1.20.1440.150;1.20.1270.20;1.20.1440.70;1.20.1440.50;1.20.58.1150;1.10.167.10;1.20.1270.430;6.10.140.1580;1.20.58.1360;1.20.1270.50;1.20.1440.210;1.20.58.930;1.20.1270.90;1.20.1440.60;1.20.81.20;1.10.287.750;1.20.58.80;1.20.58.220;1.20.1270.350;1.20.1480.20;1.20.1270.460;1.20.120.230;1.20.1270.360;1.20.1270.10;1.10.8.1170;1.20.1440.230;1.20.58.90 | null |
2jvf | 2008-08-12 | other | id:A;type:U;source:unknown;length:97;seq_nat:GSHMKVDITIKIQRDGQEIEIDIRVSTGKELERALQELEKALARAGARNVQITISAENDEQAKELLELIARLLQKLGYKDINVRVNGTEVKIEVRV;seq_unnat:GSHMKVDITIKIQRDGQEIEIDIRVSTGKELERALQELEKALARAGARNVQITISAENDEQAKELLELIARLLQKLGYKDINVRVNGTEVKIEVRV | 10,837.45 | null | ||||| | SOLUTION NMR | null | C. Stordeur;R. Dalluege;O. Birkenmeier;H. Wienk;R. Rudolph;C. Lange;C. Luecke | "The NMR solution structure of the artificial protein M7 matches the computationally designed model", Proteins, 72, 1104-1107 | 10.1002/prot.22107|18498106|0867|0887-3585|PSFGEY | US | Solution structure of m7, a computationally-designed artificial protein | de novo protein;tetrapeptide fragment-based protein design;artificial fold | null | null | null | null | null | null | 1qys(0.8252999783) | 1usm(0.5152999759) | null | null |
2jws | 2008-09-09 | other | id:A;type:D;source:artificial gene;length:56;seq_nat:TTYKLILNLKQAKEEAIKELVDAGIAEKYIKLIANAKTVEGVWTLKDEILTFTVTE;seq_unnat:TTYKLILNLKQAKEEAIKELVDAGIAEKYIKLIANAKTVEGVWTLKDEILTFTVTE | 6,317.362 | null | ||||| | SOLUTION NMR | null | Y. He;Y. Chen;P. Alexander;P.N. Bryan;J. Orban | "NMR structures of two designed proteins with high sequence identity but different fold and function", Proc.Natl.Acad.Sci.Usa, 105, 14412-14417 | 10.1073/pnas.0805857105|18796611|0040|0027-8424|PNASA6 | US | Solution nmr structures of two designed proteins with 88% sequence identity but different fold and function | evolution;de novo protein;folding;protein design | 2lhc(103);2lhg(103);2lhd(101);2lhe(101);2jwu(94);7r0r(54) | 2fs1(57);1pn5(54);2gb1(53);1pga(53);1pgb(53);1gb1(53);3gb1(53);1pgx(53);1ibx(53);2i38(53);2i2y(53);9g4t(53);2ju6(52);2jsv(52);2qmt(52);2gi9(52);1gb4(52);2igh(52);1igc(52);1igd(52);2igd(52);8ug0(51);8ug2(51);1fd6(51);2plp(50);2nmq(50);1q10(50);2rmm(50);1fcl(50);9klt(50);9kls(50) | null | null | 2lhc(103) | 2fs1(57) | 2lhc(0.7186999917) | 2fs1(0.7118999958) | 1.20.5.420;1.10.8.60;1.10.8.40;1.10.8.10 | null |
2jwu | 2008-09-09 | other | id:A;type:D;source:artificial gene;length:56;seq_nat:TTYKLILNLKQAKEEAIKELVDAATAEKYFKLYANAKTVEGVWTYKDETKTFTVTE;seq_unnat:TTYKLILNLKQAKEEAIKELVDAATAEKYFKLYANAKTVEGVWTYKDETKTFTVTE | 6,457.351 | null | ||||| | SOLUTION NMR | null | Y. He;Y. Chen;P. Alexander;P.N. Bryan;J. Orban | "NMR structures of two designed proteins with high sequence identity but different fold and function", Proc.Natl.Acad.Sci.Usa, 105, 14412-14417 | 10.1073/pnas.0805857105|18796611|0040|0027-8424|PNASA6 | US | Solution nmr structures of two designed proteins with 88% sequence identity but different fold and function | protein structure;protein design;folding;evolution;de novo protein | 2lhd(105);2lhg(103);2lhc(102);2lhe(101);2jws(95);7r0r(72) | 2igg(72);1pn5(72);1fcc(71);1ibx(71);2i38(71);2i2y(71);9g4t(71);2gb1(70);2ju6(70);1pga(70);1pgb(70);1gb1(70);2jsv(70);2qmt(70);3gb1(70);2gi9(70);1uwx(70);1qkz(70);2den(70);2cwb(70);1fd6(69);1pgx(69);2plp(68);8ug0(68);8ug2(68);2rmm(68);1gb4(68);2igh(68);1igc(68);1igd(68);2igd(68);9klt(68);9kls(68);2j52(67);2j53(67);9klu(67);2nmq(66);1p7e(66);1p7f(66);9i2i(66);2oed(66);2onq(66);9kl7(66);1em7(65);2on8(64);1fcl(64);1q10(62);1mi0(61);9awe(61);1mhx(61);1mvk(60);1mpe(60);9avo(54) | null | null | 2lhd(105) | 2igg(72) | 2kdm(0.8255000114) | 8ug2(0.8116000295) | 3.10.20.310;3.10.20.510;3.10.20.90;3.10.20.10 | null |
2k6r | 2009-06-16 | other | id:A;type:U;source:unknown;length:29;seq_nat:GQQYTAAIKGRTFRNEKELRDFIEKFKGR;seq_unnat:GQQYTA(NAL)IKGRTFRNEKELRDFIEKF(DNS)GR | 3,854.42 | null | ||||| | SOLUTION NMR | Synthetic protein | M. Sadqi;E. de Alba;R. Perez-Jimenez;J.M. Sanchez-Ruiz;V. Munoz | "A designed protein as experimental model of primordial folding", Proc.Natl.Acad.Sci.USA, 106, 4127-4132 | 10.1073/pnas.0812108106|19240216|0040|0027-8424|PNASA6 | US | Protein folding on a highly rugged landscape: experimental observation of glassy dynamics and structural frustration | rugged folding energy landscape;structural frustration;de novo protein design;non-natural amino acids;de novo protein;synthetic protein | 1fsv(56);1fsd(56) | null | null | null | 1fsv(56) | null | 1fme(0.7243000269) | 1va3(0.6877999902) | null | null |
2kdl | 2009-12-29 | other | id:A;type:U;source:unknown;length:56;seq_nat:TTYKLILNLKQAKEEAIKELVDAGTAEKYIKLIANAKTVEGVWTLKDEIKTFTVTE;seq_unnat:TTYKLILNLKQAKEEAIKELVDAGTAEKYIKLIANAKTVEGVWTLKDEIKTFTVTE | 6,321.33 | null | ||||| | SOLUTION NMR | Designed protein | P.A. Alexander;Y. He;Y. Chen;J. Orban;P.N. Bryan | "A minimal sequence code for switching protein structure and function", Proc.Natl.Acad.Sci.USA, 106, 21149-21154 | 10.1073/pnas.0906408106|19923431|0040|0027-8424|PNASA6 | US | Nmr structures of ga95 and gb95, two designed proteins with 95% sequence identity but different folds and functions | evolution;human serum albumin binding protein;folding;protein design | null | null | null | null | null | null | 2jws(0.7228999734) | 2fs1(0.7357000113) | 1.20.5.420;4.10.320.10;1.10.8.40 | null |
2kdm | 2009-12-29 | other | id:A;type:U;source:unknown;length:56;seq_nat:TTYKLILNLKQAKEEAIKEAVDAGTAEKYFKLIANAKTVEGVWTYKDEIKTFTVTE;seq_unnat:TTYKLILNLKQAKEEAIKEAVDAGTAEKYFKLIANAKTVEGVWTYKDEIKTFTVTE | 6,363.282 | null | ||||| | SOLUTION NMR | Designed protein | P.A. Alexander;Y. He;Y. Chen;J. Orban;P.N. Bryan | "From the Cover: A minimal sequence code for switching protein structure and function", Proc.Natl.Acad.Sci.USA, 106, 21149-21154 | 10.1073/pnas.0906408106|19923431|0040|0027-8424|PNASA6 | US | Nmr structures of ga95 and gb95, two designed proteins with 95% sequence identity but different folds and functions | evolution;igg binding protein;folding;protein design | null | null | null | null | null | null | 2lhe(0.8482000232) | 8ug2(0.8525999784) | 3.10.20.510;3.30.160.110;3.30.160.590;3.10.20.10;3.30.160.60 | null |
2ki0 | 2009-10-20 | other | id:A;type:U;source:unknown;length:36;seq_nat:GSGQVRTIWVGGTPEELKKLKEEAKKANIRVTFWGD;seq_unnat:GSGQVRTIWVGGTPEELKKLKEEAKKANIRVTFWGD | 4,036.613 | null | ||||| | SOLUTION NMR | The peptide was prepared by invitrogen plasmid pgex-4t-1. the vector was transformed into e. coli | H. Liang;H. Chen;K. Fan;P. Wei;X. Guo;C. Jin;C. Zeng;C. Tang;L. Lai | "De novo design of a beta alpha beta motif", Angew.Chem.Int.Ed.Engl., 48, 3301-3303 | 10.1002/anie.200805476|19347908|9999|1433-7851| | GE | Nmr structure of a de novo designed beta alpha beta | de novo protein;beta-alpha-beta | null | null | null | null | null | null | 9xzp(0.6542000175) | 3bih(0.6888999939) | null | null |
2kik | 2009-11-10 | other | id:A,B;type:U;source:unknown;length:50;seq_nat:XDYLRELLKGELQGIKQYREALEYTHNPVLAKILEDEEKHIEWLETILGX;seq_unnat:(ACE)DYLRELLKGELQGIKQYREALEYTHNPVLAKILEDEEKHIEWLETILG(NH2) | 5,770.566 | null | ||||| | SOLUTION NMR | Peptide synthesis | M. Faiella;C. Andreozzi;R. Torres;V. Pavone;O. Maglio;F. Nastri;W.F. DeGrado;A. Lombardi | To be published | |||| | null | An artificial di-iron oxo-protein with phenol oxidase activity | oxidase;diiron proteins;four-heix bundle;de novo protein;de novo design | null | null | null | null | null | null | 1ec5(0.8269000053) | 1u7j(0.8141000271) | 1.10.287.110;1.10.287.600;1.20.5.420;6.10.140.630;1.10.287.660;1.10.287.3810;4.10.810.10;1.10.12.10;6.10.250.2850;6.10.140.790;1.10.287.690;6.10.140.360;1.10.287.550;6.10.250.2860;4.10.860.20;1.10.287.230;4.10.860.10;1.10.287.540;1.10.287.910;6.10.140.1390;1.10.287.470;6.10.140.820;1.20.5.170;1.10.287.1090;1.20.5.440;6.10.140.150;6.10.250.1120;6.10.140.1150;1.10.287.770;6.10.250.220;1.20.58.90 | null |
2kjn | 2010-06-23 | other | id:A;type:U;source:unknown;length:26;seq_nat:KKALLALALHHLAHLALHLALALKKA;seq_unnat:KKALLALALHHLAHLALHLALALKKA | 2,787.523 | P 1 | 1.000|1.000|1.000|90.00|90.00|90.00 | SOLUTION NMR | null | J. Georgescu;V.H. Munhoz;B. Bechinger | "NMR structures of the histidine-rich peptide LAH4 in micellar environments: membrane insertion, pH-dependent mode of antimicrobial action, and DNA transfection", Biophys.J., 99, 2507-2515 | 10.1016/j.bpj.2010.05.038|20959091|0030|0006-3495|BIOJAU | US | Ph dependent structures of lah4 in micellar environmnet:mode of acting | de novo protein;amphipathic peptide | null | null | null | null | 2kjo(46) | null | 2l9a(0.6758999825) | null | 6.10.250.1090;6.10.250.2370;1.20.5.510;6.10.250.1210;6.10.250.2580;1.20.5.460;1.20.5.1450;1.20.5.220;6.10.250.500;1.20.5.100;1.20.5.3960 | null |
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in Data Studio
PISCES-CulledPDB
Curated protein chain tables from PISCES/CullPDB: one row per chain with sequence and metadata.
Dataset: PRMegathon26/PISCES-CulledPDB
Use the subset dropdown in the Hugging Face Data Viewer to switch between the main table and 242 curation subsets.
Summary
| Item | Description |
|---|---|
| Main CSV | curated_csv/cullpdb_combined_chains.csv — full chain table |
| Subsets | curated_csv/subsets/*.csv — 242 files (same columns) |
| Index | curated_csv/cullpdb_list_fasta_index.csv |
Full list of subset paths: curated_csv/dataset_metadata.json (keys data_paths, subset_paths).
Columns (chain CSVs)
| Column | Description |
|---|---|
| pdb_chain | PDB chain ID (e.g. 1ABC_A) |
| pdb | PDB ID (first 4 chars) |
| chain | Chain ID |
| sequence | Amino acid sequence (one-letter) |
| len | Sequence length |
| method | Experimental method (e.g. XRAY, NMR) |
| resolution | Resolution in Å (per structure) |
| rfac | R-factor |
| freerfac | Free R-factor |
| pc | Sequence identity cutoff % used for this subset |
| no_breaks | Whether chain has no breaks (yes/no) |
| R | R-factor cutoff used for this subset |
| source_list | Subset list basename (identifies curation parameters) |
Usage
from huggingface_hub import hf_hub_download
import pandas as pd
path = hf_hub_download(repo_id="PRMegathon26/PISCES-CulledPDB", filename="curated_csv/cullpdb_combined_chains.csv", repo_type="dataset")
df = pd.read_csv(path)
License
cc-by-4.0
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