Unnamed: 0 int64 1 20.1k | Entry ID stringlengths 4 8 | Experimental Method stringclasses 4
values | Deposition Date stringdate 1990-04-02 00:00:00 2025-12-09 00:00:00 | Release Date stringdate 1991-07-15 00:00:00 2026-03-04 00:00:00 | Ligand stringclasses 339
values | Value float64 0.01 183M ⌀ | Type stringclasses 5
values | Unit stringclasses 2
values | PDB ID stringlengths 4 8 | Total Number of Non-polymer Instances float64 1 168 | Refinement Resolution (Å) stringclasses 466
values | Structure Determination Methodology stringclasses 1
value | DOI stringlengths 12 34 ⌀ | Expression Host stringclasses 33
values | Source Organism stringclasses 52
values | Macromolecule Name stringlengths 3 318 | Entity ID float64 1 16 | Ligand ID stringlengths 2 8 | Ligand Name stringlengths 5 339 | Ligand SMILES stringlengths 4 121 | Protein stringclasses 3
values | Molecular Weight float64 150 978 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,818 | 2OJ3 | X-RAY DIFFRACTION | 2007-01-12 | 2007-03-27 | null | null | null | null | 2OJ3 | 11 | 2.9 | experimental | 10.1016/j.str.2007.01.017 | Escherichia coli BL21(DE3) | Homo sapiens | U1 small nuclear ribonucleoprotein A | 2 | NCO | COBALT HEXAMMINE(III) | [NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3] | HSA | 161.119 |
2,828 | 4A8Z | X-RAY DIFFRACTION | 2011-11-22 | 2012-12-05 | null | null | null | null | 4A8Z | 8 | 1.801 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | MYELIN P2 PROTEIN | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,829 | 5N4M | X-RAY DIFFRACTION | 2017-02-11 | 2017-08-09 | null | null | null | null | 5N4M | 3 | 1.59 | experimental | 10.1038/s41598-017-06781-0 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,830 | 5N4M | X-RAY DIFFRACTION | 2017-02-11 | 2017-08-09 | null | null | null | null | 5N4M | 3 | 1.59 | experimental | 10.1038/s41598-017-06781-0 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | VCA | VACCENIC ACID | CCCCCCC=CCCCCCCCCCC(=O)O | HSA | 282.468 |
2,832 | 6.00E+78 | X-RAY DIFFRACTION | 2018-07-25 | 2019-07-31 | null | null | null | null | 6.00E+78 | 2 | 1.499 | experimental | null | Escherichia coli | Homo sapiens | Transthyretin | 1 | 1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID | c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O | HSA | 250.2 |
2,833 | 6STS | X-RAY DIFFRACTION | 2019-09-11 | 2020-04-08 | null | null | null | null | 6STS | 7 | 3 | experimental | 10.1074/jbc.RA120.013087 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,835 | 8Z7Z | ELECTRON MICROSCOPY | 2024-04-21 | 2025-01-08 | null | null | null | null | 8Z7Z | 1 | 3.23 | experimental | 10.1038/s41467-024-55359-8 | Homo sapiens | Homo sapiens | Thiamine transporter 1 | 1 | VIB | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM | Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO | HSA | 265.362 |
2,837 | 9J22 | ELECTRON MICROSCOPY | 2024-08-06 | 2025-09-03 | null | null | null | null | 9J22 | 27 | 2.75 | experimental | 10.1016/j.jbc.2024.108127 | Baculoviridae sp. | Homo sapiens | Urea transporter 1 | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,840 | 2ROY | X-RAY DIFFRACTION | 1996-10-23 | 1997-04-21 | null | null | null | null | 2ROY | 2 | 2.2 | experimental | 10.1107/S0907444996003046 | null | Homo sapiens | TRANSTHYRETIN | 1 | P28 | 3',5'-DINITRO-N-ACETYL-L-THYRONINE | CC(=O)NC(Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O | HSA | 405.319 |
2,845 | 4PGF | X-RAY DIFFRACTION | 2014-05-01 | 2014-10-01 | null | null | null | null | 4PGF | 4 | 2.59 | experimental | 10.1074/jbc.M114.597153 | Escherichia coli | Homo sapiens | Adenosylhomocysteinase | 1 | NAD | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N | HSA | 663.43 |
2,846 | 4PGF | X-RAY DIFFRACTION | 2014-05-01 | 2014-10-01 | null | null | null | null | 4PGF | 4 | 2.59 | experimental | 10.1074/jbc.M114.597153 | Escherichia coli | Homo sapiens | Adenosylhomocysteinase | 1 | ADN | ADENOSINE | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N | HSA | 267.245 |
2,847 | 4X30 | X-RAY DIFFRACTION | 2014-11-27 | 2015-12-02 | null | null | null | null | 4X30 | 6 | 1.55 | experimental | null | Escherichia coli | Homo sapiens | Thyroxine-binding globulin | 1 | T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N | HSA | 776.872 |
2,852 | 5HS6 | X-RAY DIFFRACTION | 2016-01-25 | 2016-07-13 | null | null | null | null | 5HS6 | 3 | 2.02 | experimental | 10.1021/acs.jmedchem.6b00293 | Escherichia coli BL21 | Homo sapiens | 17-beta-hydroxysteroid dehydrogenase 14 | 1 | NAD | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N | HSA | 663.43 |
2,853 | 5HS6 | X-RAY DIFFRACTION | 2016-01-25 | 2016-07-13 | null | null | null | null | 5HS6 | 3 | 2.02 | experimental | 10.1021/acs.jmedchem.6b00293 | Escherichia coli BL21 | Homo sapiens | 17-beta-hydroxysteroid dehydrogenase 14 | 1 | J3Z | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one | CC12CCC3c4ccc(cc4CCC3C1CCC2=O)O | HSA | 270.372 |
2,855 | 5N4Q | X-RAY DIFFRACTION | 2017-02-11 | 2017-08-09 | null | null | null | null | 5N4Q | 3 | 1.72 | experimental | 10.1038/s41598-017-06781-0 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,856 | 5N4Q | X-RAY DIFFRACTION | 2017-02-11 | 2017-08-09 | null | null | null | null | 5N4Q | 3 | 1.72 | experimental | 10.1038/s41598-017-06781-0 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | VCA | VACCENIC ACID | CCCCCCC=CCCCCCCCCCC(=O)O | HSA | 282.468 |
2,860 | 7YCQ | X-RAY DIFFRACTION | 2022-07-01 | 2023-05-03 | null | null | null | null | 7YCQ | 2 | 1.99 | experimental | 10.1002/pro.4610 | Escherichia coli | Homo sapiens | Transthyretin | 1 | 1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID | c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O | HSA | 250.2 |
2,861 | 8R7R | ELECTRON MICROSCOPY | 2023-11-27 | 2024-10-30 | null | null | null | null | 8R7R | 12 | 2.97 | experimental | 10.1038/s41421-024-00691-y | Homo sapiens | Homo sapiens | Gap junction delta-2 protein | 1 | QDN | Quinidine | COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O | HSA | 324.424 |
2,863 | 9DMA | X-RAY DIFFRACTION | 2024-09-12 | 2025-09-10 | null | null | null | null | 9DMA | 7 | 1.89 | experimental | 10.1126/sciadv.adx7687 | Escherichia coli | Homo sapiens | 2-aminoethanethiol dioxygenase | 1 | HLZ | 1-hydrazinophthalazine | c1ccc2c(c1)cnnc2NN | HSA | 160.18 |
2,866 | 4TU7 | X-RAY DIFFRACTION | 2014-06-24 | 2014-11-26 | null | null | null | null | 4TU7 | 15 | 2.087 | experimental | 10.1073/pnas.1412743111 | null | synthetic construct | DNA (5'-D(*UP*UP*UP*UP*(BRU)P*UP*U)-3') | 2 | CPQ | N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE | CC(CCC(=O)N(CCCNC(=O)C(C(C(C(CO)O)O)O)O)CCCNC(=O)C(C(C(C(CO)O)O)O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C | HSA | 862.068 |
2,877 | 4TU9 | X-RAY DIFFRACTION | 2014-06-24 | 2014-11-26 | null | null | null | null | 4TU9 | 14 | 1.992 | experimental | 10.1073/pnas.1412743111 | null | Homo sapiens | DNA (5'-D(*UP*UP*UP*UP*(BRU)P*DG*U)-3') | 2 | CPQ | N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE | CC(CCC(=O)N(CCCNC(=O)C(C(C(C(CO)O)O)O)O)CCCNC(=O)C(C(C(C(CO)O)O)O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C | HSA | 862.068 |
2,882 | 6Q2O | ELECTRON MICROSCOPY | 2019-08-08 | 2019-10-02 | null | null | null | null | 6Q2O | 20 | 3.65 | experimental | 10.7554/eLife.47650 | Escherichia coli | Homo sapiens | Neurturin | 1 | NAG | 2-acetamido-2-deoxy-beta-D-glucopyranose | CC(=O)NC1C(C(C(OC1O)CO)O)O | HSA | 221.209 |
2,887 | 1Z7J | X-RAY DIFFRACTION | 2005-03-25 | 2005-06-07 | null | null | null | null | 1Z7J | 2 | 2.2 | experimental | 10.1107/S0907444905022523 | null | Homo sapiens | Transthyretin | 1 | T4A | 3,3',5,5'-TETRAIODOTHYROACETIC ACID | c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O | HSA | 747.83 |
2,889 | 3B2K | X-RAY DIFFRACTION | 2011-08-03 | 2012-06-20 | null | null | null | null | 3B2K | 7 | 1.73 | experimental | 10.1007/s10969-012-9137-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,890 | 3MUM | X-RAY DIFFRACTION | 2010-05-03 | 2010-08-25 | null | null | null | null | 3MUM | 3 | 2.9 | experimental | 10.1021/bi100671e | null | null | G20A mutant c-di-GMP Riboswitch | 2 | C2E | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) | c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N | HSA | 690.416 |
2,893 | 3VG3 | X-RAY DIFFRACTION | 2011-08-03 | 2012-06-20 | null | null | null | null | 3VG3 | 4 | 2.22 | experimental | 10.1007/s10969-012-9137-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,896 | 3VG6 | X-RAY DIFFRACTION | 2011-08-03 | 2012-06-20 | null | null | null | null | 3VG6 | 8 | 2.22 | experimental | 10.1007/s10969-012-9137-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,897 | 3VG7 | X-RAY DIFFRACTION | 2011-08-03 | 2012-08-01 | null | null | null | null | 3VG7 | 2 | 1.44 | experimental | 10.1007/s10969-012-9137-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,898 | 4CUT | X-RAY DIFFRACTION | 2014-03-21 | 2014-04-02 | null | null | null | null | 4CUT | 5 | 1.835 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B | 1 | TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | CC(=O)Nc1ccc(cc1)O | HSA | 151.165 |
2,900 | 6.00E+73 | X-RAY DIFFRACTION | 2018-07-25 | 2019-07-31 | null | null | null | null | 6.00E+73 | 3 | 1.797 | experimental | null | Escherichia coli | Homo sapiens | Transthyretin | 1 | 1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID | c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O | HSA | 250.2 |
2,902 | 6EW5 | X-RAY DIFFRACTION | 2017-11-03 | 2018-07-11 | null | null | null | null | 6EW5 | 4 | 1.95 | experimental | 10.1186/s12900-018-0087-2 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,903 | 8W42 | X-RAY DIFFRACTION | 2023-08-23 | 2023-11-22 | STL | 1,400 | Kd | nM | 8W42 | 3 | 1.45 | experimental | 10.1021/acs.jmedchem.3c01698 | Escherichia coli | Homo sapiens | Transthyretin | 1 | STL | RESVERATROL | c1cc(ccc1C=Cc2cc(cc(c2)O)O)O | HSA | 228.247 |
2,914 | 3B2J | X-RAY DIFFRACTION | 2011-08-03 | 2012-06-20 | null | null | null | null | 3B2J | 8 | 2 | experimental | 10.1007/s10969-012-9137-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,917 | 3B2L | X-RAY DIFFRACTION | 2011-08-03 | 2012-06-20 | null | null | null | null | 3B2L | 7 | 2.25 | experimental | 10.1007/s10969-012-9137-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,918 | 3BPT | X-RAY DIFFRACTION | 2007-12-19 | 2008-01-08 | null | null | null | null | 3BPT | 2 | 1.5 | experimental | null | Escherichia coli | Homo sapiens | 3-hydroxyisobutyryl-CoA hydrolase | 1 | QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O | HSA | 302.238 |
2,920 | 3D2T | X-RAY DIFFRACTION | 2008-05-08 | 2008-05-20 | 1FL | 1,300 | Kd | nM | 3D2T | 2 | 1.85 | experimental | 10.1021/jm030347n | Escherichia coli | Homo sapiens | Transthyretin | 1 | 1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID | c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O | HSA | 250.2 |
2,933 | 3IWX | X-RAY DIFFRACTION | 2009-09-03 | 2009-09-22 | null | null | null | null | 3IWX | 4 | 2.14 | experimental | 10.1021/ja906363t | Escherichia coli | Homo sapiens | Copper transport protein ATOX1 | 1 | CPT | Cisplatin | [NH3][Pt]([NH3])(Cl)Cl | HSA | 300.046 |
2,935 | 3O5R | X-RAY DIFFRACTION | 2010-07-28 | 2011-06-01 | null | null | null | null | 3O5R | 1 | 1.1 | experimental | 10.1107/S0907444911013862 | Escherichia coli | Homo sapiens | Peptidyl-prolyl cis-trans isomerase FKBP5 | 1 | FK5 | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC | HSA | 804.031 |
2,936 | 3VG2 | X-RAY DIFFRACTION | 2011-08-03 | 2012-06-20 | null | null | null | null | 3VG2 | 7 | 2.4 | experimental | 10.1007/s10969-012-9137-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,938 | 4D6A | X-RAY DIFFRACTION | 2014-11-10 | 2015-05-20 | null | null | null | null | 4D6A | 3 | 1.45 | experimental | 10.1371/JOURNAL.PONE.0128954 | Escherichia coli | Homo sapiens | MYELIN P2 PROTEIN | 1 | CIT | CITRIC ACID | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | HSA | 192.123 |
2,939 | 4D6A | X-RAY DIFFRACTION | 2014-11-10 | 2015-05-20 | null | null | null | null | 4D6A | 3 | 1.45 | experimental | 10.1371/JOURNAL.PONE.0128954 | Escherichia coli | Homo sapiens | MYELIN P2 PROTEIN | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,943 | 5LJD | X-RAY DIFFRACTION | 2016-07-18 | 2017-01-18 | null | null | null | null | 5LJD | 2 | 1.61 | experimental | 10.1016/j.jsb.2016.12.012 | Escherichia coli BL21(DE3) | Homo sapiens | Retinol-binding protein 1 | 1 | RTL | RETINOL | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | HSA | 286.459 |
2,945 | 5LJE | X-RAY DIFFRACTION | 2016-07-18 | 2017-01-18 | null | null | null | null | 5LJE | 2 | 1.4 | experimental | 10.1016/j.jsb.2016.12.012 | Escherichia coli BL21(DE3) | Homo sapiens | Retinol-binding protein 1 | 1 | RTL | RETINOL | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | HSA | 286.459 |
2,946 | 6S2S | X-RAY DIFFRACTION | 2019-06-21 | 2019-08-28 | null | null | null | null | 6S2S | 4 | 0.86 | experimental | 10.3390/molecules24173044 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,947 | 6S2S | X-RAY DIFFRACTION | 2019-06-21 | 2019-08-28 | null | null | null | null | 6S2S | 4 | 0.86 | experimental | 10.3390/molecules24173044 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | VCA | VACCENIC ACID | CCCCCCC=CCCCCCCCCCC(=O)O | HSA | 282.468 |
2,948 | 6S2S | X-RAY DIFFRACTION | 2019-06-21 | 2019-08-28 | null | null | null | null | 6S2S | 4 | 0.86 | experimental | 10.3390/molecules24173044 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | CIT | CITRIC ACID | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | HSA | 192.123 |
2,949 | 7O60 | X-RAY DIFFRACTION, NEUTRON DIFFRACTION | 2021-04-09 | 2021-09-01 | null | null | null | null | 7O60 | 2 | 2, 2.4 | experimental | 10.1111/febs.16079 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | CIT | CITRIC ACID | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | HSA | 192.123 |
2,950 | 7O60 | X-RAY DIFFRACTION, NEUTRON DIFFRACTION | 2021-04-09 | 2021-09-01 | null | null | null | null | 7O60 | 2 | 2, 2.4 | experimental | 10.1111/febs.16079 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,952 | 9HJC | ELECTRON MICROSCOPY | 2024-11-28 | 2025-03-12 | null | null | null | null | 9HJC | 4 | 2.1 | experimental | null | Escherichia coli | Homo sapiens | Thiamine pyrophosphokinase 1 | 1 | VIB | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM | Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO | HSA | 265.362 |
2,959 | 2XN3 | X-RAY DIFFRACTION | 2010-07-30 | 2011-02-16 | null | null | null | null | 2XN3 | 1 | 2.09 | experimental | 10.1074/JBC.M110.171082 | Escherichia coli BL21(DE3) | Homo sapiens | THYROXINE-BINDING GLOBULIN | 2 | ID8 | 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID | Cc1cccc(c1C)Nc2ccccc2C(=O)O | HSA | 241.29 |
2,962 | 3B2H | X-RAY DIFFRACTION | 2011-08-03 | 2012-06-20 | null | null | null | null | 3B2H | 14 | 1.55 | experimental | 10.1007/s10969-012-9137-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,964 | 3B2I | X-RAY DIFFRACTION | 2011-08-03 | 2012-07-11 | null | null | null | null | 3B2I | 8 | 1.86 | experimental | 10.1007/s10969-012-9137-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,965 | 3EPY | X-RAY DIFFRACTION | 2008-09-30 | 2009-01-20 | null | null | null | null | 3EPY | 4 | 2.005 | experimental | null | Escherichia coli | Homo sapiens | Acyl-CoA-binding domain-containing protein 7 | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,966 | 3EPY | X-RAY DIFFRACTION | 2008-09-30 | 2009-01-20 | null | null | null | null | 3EPY | 4 | 2.005 | experimental | null | Escherichia coli | Homo sapiens | Acyl-CoA-binding domain-containing protein 7 | 1 | COA | COENZYME A | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O | HSA | 767.541 |
2,967 | 3STK | X-RAY DIFFRACTION | 2011-07-11 | 2011-08-10 | null | null | null | null | 3STK | 2 | 1.55 | experimental | 10.1074/jbc.M111.270165 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,968 | 3STM | X-RAY DIFFRACTION | 2011-07-11 | 2011-08-10 | null | null | null | null | 3STM | 1 | 2.216 | experimental | 10.1074/jbc.M111.270165 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,970 | 3VG4 | X-RAY DIFFRACTION | 2011-08-03 | 2012-06-20 | null | null | null | null | 3VG4 | 4 | 2.5 | experimental | 10.1007/s10969-012-9137-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,972 | 3VG5 | X-RAY DIFFRACTION | 2011-08-03 | 2012-06-20 | null | null | null | null | 3VG5 | 4 | 2 | experimental | 10.1007/s10969-012-9137-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,973 | 4A1H | X-RAY DIFFRACTION | 2011-09-15 | 2012-09-26 | null | null | null | null | 4A1H | 7 | 2.201 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | MYELIN P2 PROTEIN | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,976 | 4I89 | X-RAY DIFFRACTION | 2012-12-03 | 2013-06-19 | null | null | null | null | 4I89 | 2 | 1.69 | experimental | 10.1016/j.febslet.2013.06.016 | Escherichia coli BL21(DE3) | Homo sapiens | Transthyretin | 1 | 1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID | c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O | HSA | 250.2 |
2,977 | 5LJB | X-RAY DIFFRACTION | 2016-07-18 | 2017-01-18 | null | null | null | null | 5LJB | 1 | 1.263 | experimental | 10.1016/j.jsb.2016.12.012 | Escherichia coli 'BL21-Gold(DE3)pLysS AG | Homo sapiens | Retinol-binding protein 1 | 1 | RTL | RETINOL | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | HSA | 286.459 |
2,979 | 5LJC | X-RAY DIFFRACTION | 2016-07-18 | 2017-01-18 | null | null | null | null | 5LJC | 2 | 1.433 | experimental | 10.1016/j.jsb.2016.12.012 | Escherichia coli BL21(DE3) | Homo sapiens | Retinol-binding protein 1 | 1 | RTL | RETINOL | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | HSA | 286.459 |
2,980 | 5LJG | X-RAY DIFFRACTION | 2016-07-18 | 2017-01-18 | null | null | null | null | 5LJG | 1 | 1.146 | experimental | 10.1016/j.jsb.2016.12.012 | Escherichia coli BL21(DE3) | Homo sapiens | Retinol-binding protein 1 | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,981 | 6EMM | X-RAY DIFFRACTION | 2017-10-02 | 2018-10-31 | null | null | null | null | 6EMM | 4 | 2.47 | experimental | null | Escherichia coli BL21 | Homo sapiens | 17-beta-hydroxysteroid dehydrogenase 14 | 1 | NAD | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N | HSA | 663.43 |
2,982 | 6EMM | X-RAY DIFFRACTION | 2017-10-02 | 2018-10-31 | null | null | null | null | 6EMM | 4 | 2.47 | experimental | null | Escherichia coli BL21 | Homo sapiens | 17-beta-hydroxysteroid dehydrogenase 14 | 1 | PG4 | TETRAETHYLENE GLYCOL | C(COCCOCCOCCO)O | HSA | 194.227 |
2,988 | 7.00E+25 | X-RAY DIFFRACTION | 2021-02-04 | 2021-07-14 | null | null | null | null | 7.00E+25 | 5 | 1.6 | experimental | 10.1107/S2059798321005763 | Escherichia coli BL21(DE3) | Homo sapiens | Fatty acid-binding protein, brain | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
2,996 | 9DXP | ELECTRON MICROSCOPY | 2024-10-11 | 2025-07-16 | null | null | null | null | 9DXP | 2 | 2.3 | experimental | 10.1016/j.cell.2025.06.032 | Homo sapiens | Homo sapiens | Solute carrier organic anion transporter family member 1C1 | 1 | Y01 | CHOLESTEROL HEMISUCCINATE | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C | HSA | 486.737 |
2,997 | 9DXP | ELECTRON MICROSCOPY | 2024-10-11 | 2025-07-16 | null | null | null | null | 9DXP | 2 | 2.3 | experimental | 10.1016/j.cell.2025.06.032 | Homo sapiens | Homo sapiens | Solute carrier organic anion transporter family member 1C1 | 1 | T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N | HSA | 776.872 |
2,998 | 2WIN | X-RAY DIFFRACTION | 2009-05-13 | 2009-06-09 | null | null | null | null | 2WIN | 9 | 3.9 | experimental | 10.1038/ni.1756 | Escherichia coli BL21(DE3) | Staphylococcus aureus | STAPHYLOCOCCAL COMPLEMENT INHIBITOR | 4 | MAN | alpha-D-mannopyranose | C(C1C(C(C(C(O1)O)O)O)O)O | HSA | 180.156 |
3,028 | 6S64 | X-RAY DIFFRACTION | 2019-07-02 | 2020-07-22 | null | null | null | null | 6S64 | 3 | 2.22 | experimental | 10.1016/j.ejmech.2021.113835 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | MYR | MYRISTIC ACID | CCCCCCCCCCCCCC(=O)O | HSA | 228.376 |
3,029 | 6S64 | X-RAY DIFFRACTION | 2019-07-02 | 2020-07-22 | null | null | null | null | 6S64 | 3 | 2.22 | experimental | 10.1016/j.ejmech.2021.113835 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
3,030 | 6S64 | X-RAY DIFFRACTION | 2019-07-02 | 2020-07-22 | null | null | null | null | 6S64 | 3 | 2.22 | experimental | 10.1016/j.ejmech.2021.113835 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | KXE | 3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid | c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O | HSA | 418.28 |
3,041 | 1ETB | X-RAY DIFFRACTION | 1993-05-12 | 1995-01-26 | null | null | null | null | 1ETB | 2 | 1.7 | experimental | null | null | Homo sapiens | TRANSTHYRETIN | 1 | T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N | HSA | 776.872 |
3,043 | 2RCT | X-RAY DIFFRACTION | 2007-09-20 | 2007-10-02 | null | null | null | null | 2RCT | 4 | 1.2 | experimental | 10.1002/prot.21848 | Escherichia coli | Homo sapiens | Retinol-binding protein II, cellular | 1 | RTL | RETINOL | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | HSA | 286.459 |
3,044 | 2RCT | X-RAY DIFFRACTION | 2007-09-20 | 2007-10-02 | null | null | null | null | 2RCT | 4 | 1.2 | experimental | 10.1002/prot.21848 | Escherichia coli | Homo sapiens | Retinol-binding protein II, cellular | 1 | TLA | L(+)-TARTARIC ACID | C(C(C(=O)O)O)(C(=O)O)O | HSA | 150.086 |
3,050 | 3IRW | X-RAY DIFFRACTION | 2009-08-24 | 2009-11-10 | null | null | null | null | 3IRW | 12 | 2.7 | experimental | 10.1038/nsmb.1702 | null | Vibrio cholerae | c-di-GMP Riboswitch | 2 | C2E | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) | c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N | HSA | 690.416 |
3,053 | 3TEG | X-RAY DIFFRACTION | 2011-08-14 | 2011-11-23 | null | null | null | null | 3TEG | 1 | 2.2044 | experimental | 10.1016/j.chembiol.2011.08.008 | Escherichia coli | Homo sapiens | Phenylalanyl-tRNA synthetase, mitochondrial | 1 | DAH | 3,4-DIHYDROXYPHENYLALANINE | c1cc(c(cc1CC(C(=O)O)N)O)O | HSA | 197.19 |
3,055 | 4QYN | X-RAY DIFFRACTION | 2014-07-24 | 2014-12-31 | null | null | null | null | 4QYN | 3 | 1.19 | experimental | 10.1107/S1399004714023839 | Escherichia coli | Homo sapiens | Retinol-binding protein 2 | 1 | RTL | RETINOL | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | HSA | 286.459 |
3,063 | 7DZG | X-RAY DIFFRACTION | 2021-01-25 | 2022-07-27 | null | null | null | null | 7DZG | 2 | 1.6 | experimental | 10.1038/s41557-022-00992-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
3,064 | 7DZH | X-RAY DIFFRACTION | 2021-01-25 | 2022-07-27 | null | null | null | null | 7DZH | 2 | 1.65 | experimental | 10.1038/s41557-022-00992-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
3,065 | 7DZJ | X-RAY DIFFRACTION | 2021-01-25 | 2022-07-27 | null | null | null | null | 7DZJ | 2 | 1.63 | experimental | 10.1038/s41557-022-00992-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
3,066 | 7F43 | X-RAY DIFFRACTION | 2021-06-17 | 2022-06-22 | 3JD | 28,840 | IC50 | nM | 7F43 | 1 | 1.62 | experimental | 10.1016/j.bbrc.2022.06.070 | Escherichia coli BL21(DE3) | Homo sapiens | Protein mono-ADP-ribosyltransferase PARP15 | 1 | 3JD | 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide | c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)C4CCCNC4 | HSA | 320.396 |
3,068 | 8J9X | ELECTRON MICROSCOPY | 2023-05-05 | 2024-02-07 | null | null | null | null | 8J9X | 4 | 3 | experimental | 10.1038/s42004-024-01129-y | null | Homo sapiens | DNA (5'-D(*GP*GP*CP*CP*GP*CP*CP*TP*AP*CP*AP*TP*AP*CP*CP*TP*C)-3') | 3 | ASW | N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide | COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C | HSA | 393.468 |
3,071 | 1ETA | X-RAY DIFFRACTION | 1993-05-12 | 1995-01-26 | null | null | null | null | 1ETA | 2 | 1.7 | experimental | null | null | Homo sapiens | TRANSTHYRETIN | 1 | T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N | HSA | 776.872 |
3,072 | 2RIW | X-RAY DIFFRACTION | 2007-10-12 | 2008-10-14 | null | null | null | null | 2RIW | 1 | 2.04 | experimental | 10.1074/jbc.M110.171082 | Escherichia coli | Homo sapiens | Thyroxine-binding globulin | 2 | T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N | HSA | 776.872 |
3,078 | 4BVM | X-RAY DIFFRACTION | 2013-06-26 | 2014-01-15 | null | null | null | null | 4BVM | 4 | 0.93 | experimental | 10.1107/S1399004713027910 | Escherichia coli BL21(DE3) | Homo sapiens | MYELIN P2 PROTEIN | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
3,079 | 4BVM | X-RAY DIFFRACTION | 2013-06-26 | 2014-01-15 | null | null | null | null | 4BVM | 4 | 0.93 | experimental | 10.1107/S1399004713027910 | Escherichia coli BL21(DE3) | Homo sapiens | MYELIN P2 PROTEIN | 1 | VCA | VACCENIC ACID | CCCCCCC=CCCCCCCCCCC(=O)O | HSA | 282.468 |
3,080 | 4BVM | X-RAY DIFFRACTION | 2013-06-26 | 2014-01-15 | null | null | null | null | 4BVM | 4 | 0.93 | experimental | 10.1107/S1399004713027910 | Escherichia coli BL21(DE3) | Homo sapiens | MYELIN P2 PROTEIN | 1 | CIT | CITRIC ACID | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | HSA | 192.123 |
3,086 | 5H8T | X-RAY DIFFRACTION | 2015-12-23 | 2016-03-02 | null | null | null | null | 5H8T | 1 | 1.21 | experimental | 10.1074/jbc.M116.714535 | Escherichia coli BL21(DE3) | Homo sapiens | Retinol-binding protein 1 | 1 | RTL | RETINOL | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | HSA | 286.459 |
3,087 | 5HBS | X-RAY DIFFRACTION | 2016-01-02 | 2016-03-02 | null | null | null | null | 5HBS | 1 | 0.89 | experimental | 10.1074/jbc.M116.714535 | Escherichia coli BL21(DE3) | Homo sapiens | Retinol-binding protein 1 | 1 | RTL | RETINOL | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | HSA | 286.459 |
3,089 | 5NZY | X-RAY DIFFRACTION | 2017-05-15 | 2017-06-14 | null | null | null | null | 5NZY | 3 | 1.551 | experimental | null | Spodoptera frugiperda | Homo sapiens | DNA cross-link repair 1A protein | 1 | CE3 | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy
clo[4.2.0]oct-2-ene-2-carboxylic acid | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)c3csc(n3)N)SC1)C(=O)O | HSA | 455.474 |
3,090 | 5PBE | X-RAY DIFFRACTION | 2017-02-03 | 2017-03-15 | null | null | null | null | 5PBE | 3 | 1.835 | experimental | 10.1038/ncomms15123 | Escherichia coli | Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | 1 | TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | CC(=O)Nc1ccc(cc1)O | HSA | 151.165 |
3,092 | 5UCA | X-RAY DIFFRACTION | 2016-12-22 | 2017-02-15 | null | null | null | null | 5UCA | 3 | 2.117 | experimental | 10.1016/j.chom.2017.01.002 | Escherichia coli | Homo sapiens | Heme oxygenase 2 | 1 | DAO | LAURIC ACID | CCCCCCCCCCCC(=O)O | HSA | 200.322 |
3,093 | 6XU5 | X-RAY DIFFRACTION | 2020-01-17 | 2020-04-08 | null | null | null | null | 6XU5 | 3 | 1.65 | experimental | 10.1074/jbc.RA120.013087 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
3,094 | 6XU5 | X-RAY DIFFRACTION | 2020-01-17 | 2020-04-08 | null | null | null | null | 6XU5 | 3 | 1.65 | experimental | 10.1074/jbc.RA120.013087 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | CIT | CITRIC ACID | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | HSA | 192.123 |
3,095 | 6XUA | X-RAY DIFFRACTION | 2020-01-17 | 2020-04-08 | null | null | null | null | 6XUA | 3 | 2.3 | experimental | 10.1074/jbc.RA120.013087 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | CIT | CITRIC ACID | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | HSA | 192.123 |
3,096 | 6XUA | X-RAY DIFFRACTION | 2020-01-17 | 2020-04-08 | null | null | null | null | 6XUA | 3 | 2.3 | experimental | 10.1074/jbc.RA120.013087 | Escherichia coli | Homo sapiens | Myelin P2 protein | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
3,097 | 7DZE | X-RAY DIFFRACTION | 2021-01-25 | 2022-07-27 | null | null | null | null | 7DZE | 2 | 1.55 | experimental | 10.1038/s41557-022-00992-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
3,098 | 7DZF | X-RAY DIFFRACTION | 2021-01-25 | 2022-07-27 | null | null | null | null | 7DZF | 2 | 1.7 | experimental | 10.1038/s41557-022-00992-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
3,099 | 7DZL | X-RAY DIFFRACTION | 2021-01-25 | 2022-07-27 | null | null | null | null | 7DZL | 2 | 1.64 | experimental | 10.1038/s41557-022-00992-3 | Escherichia coli | Homo sapiens | Fatty acid-binding protein, liver | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
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