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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5,153 | 9HQ9 | X-RAY DIFFRACTION | 2024-12-16 | 2025-01-22 | null | null | null | null | 9HQ9 | 1 | 1.6 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | A1H97 | (5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane | c1cnc(cn1)N2CCC3(C2)CCOC3 | HSA | 205.261 |
5,154 | 9HQJ | X-RAY DIFFRACTION | 2024-12-16 | 2024-12-25 | null | null | null | null | 9HQJ | 1 | 1.6 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | A1H9T | 2-fluoranyl-~{N}-(1,3,4-thiadiazol-2-yl)benzamide | c1ccc(c(c1)C(=O)Nc2nncs2)F | HSA | 223.232 |
5,155 | 9LJH | ELECTRON MICROSCOPY | 2025-01-15 | 2025-12-03 | null | null | null | null | 9LJH | 28 | 2.73 | experimental | 10.1038/s41586-025-09934-8 | Homo sapiens | Homo sapiens | Organic solute transporter subunit beta | 2 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
5,163 | 7N1R | X-RAY DIFFRACTION | 2021-05-28 | 2022-01-12 | null | null | null | null | 7N1R | 33 | 2.03 | experimental | 10.1002/pro.4267 | Escherichia coli BL21(DE3) | Homo sapiens | Endoplasmic reticulum chaperone BiP | 1 | AMP | ADENOSINE MONOPHOSPHATE | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N | HSA | 347.224 |
5,165 | 1B56 | X-RAY DIFFRACTION | 1999-01-12 | 1999-10-05 | null | null | null | null | 1B56 | 1 | 2.05 | experimental | 10.1021/bi990305u | Escherichia coli | Homo sapiens | FATTY ACID BINDING PROTEIN | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
5,169 | 2JC9 | X-RAY DIFFRACTION | 2006-12-21 | 2007-01-02 | null | null | null | null | 2JC9 | 10 | 1.5 | experimental | 10.1074/JBC.M700917200 | Escherichia coli | Homo sapiens | CYTOSOLIC PURINE 5'-NUCLEOTIDASE | 1 | ADN | ADENOSINE | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N | HSA | 267.245 |
5,171 | 2NNH | X-RAY DIFFRACTION | 2006-10-24 | 2007-10-23 | null | null | null | null | 2NNH | 10 | 2.6 | experimental | 10.1074/jbc.M802180200 | Escherichia coli | Homo sapiens | Cytochrome P450 2C8 | 1 | HEM | PROTOPORPHYRIN IX CONTAINING FE | Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O | HSA | 616.499 |
5,172 | 2NNH | X-RAY DIFFRACTION | 2006-10-24 | 2007-10-23 | null | null | null | null | 2NNH | 10 | 2.6 | experimental | 10.1074/jbc.M802180200 | Escherichia coli | Homo sapiens | Cytochrome P450 2C8 | 1 | 9CR | (9cis)-retinoic acid | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C | HSA | 300.442 |
5,173 | 2NNH | X-RAY DIFFRACTION | 2006-10-24 | 2007-10-23 | null | null | null | null | 2NNH | 10 | 2.6 | experimental | 10.1074/jbc.M802180200 | Escherichia coli | Homo sapiens | Cytochrome P450 2C8 | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
5,174 | 2YFX | X-RAY DIFFRACTION | 2011-04-08 | 2011-05-04 | VGH | 1,540 | IC50 | nM | 2YFX | 1 | 1.7 | experimental | 10.1021/JM401805H | Spodoptera frugiperda | Homo sapiens | TYROSINE-PROTEIN KINASE RECEPTOR | 1 | VGH | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine | CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4 | HSA | 450.345 |
5,259 | 5OM7 | X-RAY DIFFRACTION | 2017-07-28 | 2018-05-23 | null | null | null | null | 5OM7 | 1 | 1.727 | experimental | 10.1073/pnas.1716666115 | Escherichia coli BL21(DE3) | Homo sapiens | Alpha-1-antichymotrypsin | 2 | DM2 | DOXORUBICIN | CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O | HSA | 543.525 |
5,261 | 5Y7Z | X-RAY DIFFRACTION | 2017-08-18 | 2018-08-29 | IRE | 13 | Kd | nM | 5Y7Z | 7 | 2.804 | experimental | 10.1002/open.201800177 | Escherichia coli | Homo sapiens | Cyclin-G-associated kinase | 1 | IRE | Gefitinib | COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F | HSA | 446.91 |
5,266 | 6K4J | X-RAY DIFFRACTION | 2019-05-24 | 2020-05-13 | null | null | null | null | 6K4J | 3 | 2.701 | experimental | 10.1038/s41467-020-15459-7 | Spodoptera frugiperda | Homo sapiens | CD9 antigen | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
5,267 | 6K4J | X-RAY DIFFRACTION | 2019-05-24 | 2020-05-13 | null | null | null | null | 6K4J | 3 | 2.701 | experimental | 10.1038/s41467-020-15459-7 | Spodoptera frugiperda | Homo sapiens | CD9 antigen | 1 | OLC | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O | HSA | 356.547 |
5,269 | 7Q6Z | ELECTRON MICROSCOPY | 2021-11-09 | 2022-01-26 | null | null | null | null | 7Q6Z | 4 | 3.59 | experimental | 10.1016/j.molcel.2021.11.018 | Escherichia coli | Escherichia coli K-12 | Megabody 177 | 2 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
5,283 | 8JTZ | ELECTRON MICROSCOPY | 2023-06-22 | 2024-03-27 | null | null | null | null | 8JTZ | 1 | 3.27 | experimental | 10.1038/s41421-024-00664-1 | Spodoptera frugiperda | Homo sapiens | Solute carrier family 22 member 1 | 1 | SNL | SPIRONOLACTONE | CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C | HSA | 416.583 |
5,284 | 8RYC | X-RAY DIFFRACTION | 2024-02-08 | 2025-02-19 | null | null | null | null | 8RYC | 2 | 2.09 | experimental | null | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | A1H32 | 5-phenylmethoxy-1~{H}-indole | c1ccc(cc1)COc2ccc3c(c2)cc[nH]3 | HSA | 223.275 |
5,285 | 8RYC | X-RAY DIFFRACTION | 2024-02-08 | 2025-02-19 | null | null | null | null | 8RYC | 2 | 2.09 | experimental | null | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | MYR | MYRISTIC ACID | CCCCCCCCCCCCCC(=O)O | HSA | 228.376 |
5,286 | 9F4D | X-RAY DIFFRACTION | 2024-04-27 | 2024-05-08 | null | null | null | null | 9F4D | 1 | 1.5 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | JH1 | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide | CCn1cc(cn1)C(=O)NCc2ccc(cc2)F | HSA | 247.273 |
5,287 | 9F4K | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F4K | 1 | 1.8 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | A1H9R | ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide | Cc1c(cn(n1)C)C(=O)NCC2CCC2 | HSA | 207.277 |
5,288 | 9F4O | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F4O | 1 | 1.4 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | A1H95 | (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine | Cc1cccc(n1)N2CCNC(C2)C | HSA | 191.278 |
5,289 | 9F4Q | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F4Q | 1 | 1.4 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | A1H9S | 5-(2-phenylethylamino)-1H-pyrimidine-2,4-dione | c1ccc(cc1)CCNC2=CNC(=O)NC2=O | HSA | 231.255 |
5,290 | 9F4S | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F4S | 1 | 1.4 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | JGA | N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea | CCNC(=O)Nc1cc(on1)C | HSA | 169.184 |
5,291 | 9F4U | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F4U | 1 | 1.4 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | LXA | ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide | COCC(=O)NCc1[nH]c2ccccc2n1 | HSA | 219.244 |
5,292 | 9F4V | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F4V | 1 | 1.4 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | UQJ | 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide | Cn1cc(c(n1)C(F)F)C(=O)N | HSA | 175.138 |
5,293 | 9F4Z | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F4Z | 1 | 1.6 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | 9KS | N-(2-hydroxyphenyl)acetamide | CC(=O)Nc1ccccc1O | HSA | 151.165 |
5,294 | 9F50 | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F50 | 1 | 1.5 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | K2G | 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide | CC(C)c1ncc(c(n1)C(=O)N)Cl | HSA | 199.641 |
5,295 | 9F5C | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F5C | 1 | 1.45 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | LJA | N-[3-(carbamoylamino)phenyl]acetamide | CC(=O)Nc1cccc(c1)NC(=O)N | HSA | 193.206 |
5,296 | 9F5D | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F5D | 1 | 1.6 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | A1H9X | 5-[(phenylmethyl)amino]-1H-pyrimidine-2,4-dione | c1ccc(cc1)CNC2=CNC(=O)NC2=O | HSA | 217.228 |
5,297 | 9F5F | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F5F | 1 | 1.4 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | W0J | (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine | CNC1CCCN(C1)c2cccnn2 | HSA | 192.266 |
5,298 | 9F7F | X-RAY DIFFRACTION | 2024-05-03 | 2024-05-15 | null | null | null | null | 9F7F | 1 | 1.55 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | WNM | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine | c1ccc(cc1)S(=O)(=O)N2CCC(C2)N | HSA | 226.301 |
5,299 | 9S64 | X-RAY DIFFRACTION | 2025-07-30 | 2026-02-04 | null | null | null | null | 9S64 | 6 | 1.85 | experimental | 10.1021/acs.jmedchem.5c02602 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-1 | 1 | MYR | MYRISTIC ACID | CCCCCCCCCCCCCC(=O)O | HSA | 228.376 |
5,302 | 9S64 | X-RAY DIFFRACTION | 2025-07-30 | 2026-02-04 | null | null | null | null | 9S64 | 6 | 1.85 | experimental | 10.1021/acs.jmedchem.5c02602 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-1 | 1 | A1JLZ | 2-[4-chloranyl-3-[3-methyl-5-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-c]pyridin-1-yl]ethanol | Cc1cc(cc(c1)Oc2ccc(cc2)C(F)(F)F)c3cn(c4c3c(ncc4)Cl)CCO | HSA | 446.856 |
5,306 | 6ASY | X-RAY DIFFRACTION | 2017-08-26 | 2017-12-06 | null | null | null | null | 6ASY | 28 | 1.85 | experimental | 10.1038/s41467-017-01310-z | Escherichia coli 'BL21-Gold(DE3)pLysS AG | Homo sapiens | 78 kDa glucose-regulated protein | 1 | ATP | ADENOSINE-5'-TRIPHOSPHATE | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | HSA | 507.182 |
5,311 | 1T8I | X-RAY DIFFRACTION | 2004-05-12 | 2005-05-31 | EHD | 1,600 | IC50 | nM | 1T8I | 1 | 3 | experimental | 10.1021/jm049146p | null | null | 5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*CP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3' | 3 | EHD | 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE | CCC1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O | HSA | 348.358 |
5,337 | 4G0U | X-RAY DIFFRACTION | 2012-07-10 | 2013-07-17 | ASW | 1,000 | IC50 | nM | 4G0U | 8 | 2.7 | experimental | 10.1093/nar/gkt828 | null | null | DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3') | 3 | ASW | N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide | COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C | HSA | 393.468 |
5,341 | 4WNU | X-RAY DIFFRACTION | 2014-10-14 | 2015-01-14 | QDN | 14,000 | IC50 | nM | 4WNU | 27 | 2.26 | experimental | 10.1074/jbc.M114.627661 | Escherichia coli | Homo sapiens | Cytochrome P450 2D6 | 1 | HEM | PROTOPORPHYRIN IX CONTAINING FE | Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O | HSA | 616.499 |
5,384 | 5HGU | X-RAY DIFFRACTION | 2016-01-08 | 2016-02-17 | null | null | null | null | 5HGU | 2 | 2.046 | experimental | 10.1038/nchembio.2036 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
5,388 | 5X23 | X-RAY DIFFRACTION | 2017-01-30 | 2017-10-25 | null | null | null | null | 5X23 | 6 | 2 | experimental | 10.1021/acs.biochem.7b00795 | Escherichia coli | Homo sapiens | Cytochrome P450 2C9 | 1 | HEM | PROTOPORPHYRIN IX CONTAINING FE | Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O | HSA | 616.499 |
5,389 | 5X23 | X-RAY DIFFRACTION | 2017-01-30 | 2017-10-25 | null | null | null | null | 5X23 | 6 | 2 | experimental | 10.1021/acs.biochem.7b00795 | Escherichia coli | Homo sapiens | Cytochrome P450 2C9 | 1 | LSN | [2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol | CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl | HSA | 422.92 |
5,392 | 5X24 | X-RAY DIFFRACTION | 2017-01-30 | 2017-10-25 | null | null | null | null | 5X24 | 5 | 2.48 | experimental | 10.1021/acs.biochem.7b00795 | Escherichia coli | Homo sapiens | Cytochrome P450 2C9 | 1 | HEM | PROTOPORPHYRIN IX CONTAINING FE | Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O | HSA | 616.499 |
5,393 | 5X24 | X-RAY DIFFRACTION | 2017-01-30 | 2017-10-25 | null | null | null | null | 5X24 | 5 | 2.48 | experimental | 10.1021/acs.biochem.7b00795 | Escherichia coli | Homo sapiens | Cytochrome P450 2C9 | 1 | LSN | [2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol | CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl | HSA | 422.92 |
5,396 | 6QRM | X-RAY DIFFRACTION | 2019-02-19 | 2020-03-18 | null | null | null | null | 6QRM | 9 | 2.3 | experimental | 10.1038/s41467-020-14847-3 | null | Homo sapiens | Apoptosis-inducing factor 3 | 2 | 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 |
5,401 | 6S66 | X-RAY DIFFRACTION | 2019-07-02 | 2020-07-22 | null | null | null | null | 6S66 | 3 | 2.2 | 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 |
5,402 | 6S66 | X-RAY DIFFRACTION | 2019-07-02 | 2020-07-22 | null | null | null | null | 6S66 | 3 | 2.2 | experimental | 10.1016/j.ejmech.2021.113835 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | KWW | 1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide | c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN | HSA | 389.286 |
5,403 | 6S6J | X-RAY DIFFRACTION | 2019-07-03 | 2020-07-22 | KXH | 35,000 | Kd | nM | 6S6J | 3 | 2.1 | 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 |
5,404 | 6S6J | X-RAY DIFFRACTION | 2019-07-03 | 2020-07-22 | KXH | 35,000 | Kd | nM | 6S6J | 3 | 2.1 | experimental | 10.1016/j.ejmech.2021.113835 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | KXH | ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate | CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN | HSA | 356.253 |
5,405 | 8BHK | ELECTRON MICROSCOPY | 2022-10-31 | 2023-11-01 | DZP | 11.2 | Ki | nM | 8BHK | 10 | 3.3 | experimental | 10.1038/s41594-023-01133-1 | Homo sapiens | Homo sapiens | Gamma-aminobutyric acid receptor subunit alpha-5 | 1 | NAG | 2-acetamido-2-deoxy-beta-D-glucopyranose | CC(=O)NC1C(C(C(OC1O)CO)O)O | HSA | 221.209 |
5,414 | 8BWP | ELECTRON MICROSCOPY | 2022-12-07 | 2023-08-30 | MTX | 133,000 | IC50 | nM | 8BWP | 1 | 3.6 | experimental | 10.1016/j.str.2023.08.014 | Homo sapiens | Homo sapiens | ATP-binding cassette sub-family C member 4 | 1 | MTX | METHOTREXATE | CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O | HSA | 454.447 |
5,415 | 8POJ | X-RAY DIFFRACTION | 2023-07-05 | 2023-11-22 | null | null | null | null | 8POJ | 2 | 2.45 | experimental | 10.1016/j.bmcl.2023.129488 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | ZUL | 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid | c1ccc(cc1)c2cccc(c2)Nc3cc(ccc3C(=O)O)F | HSA | 307.324 |
5,416 | 8POJ | X-RAY DIFFRACTION | 2023-07-05 | 2023-11-22 | null | null | null | null | 8POJ | 2 | 2.45 | experimental | 10.1016/j.bmcl.2023.129488 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | MYR | MYRISTIC ACID | CCCCCCCCCCCCCC(=O)O | HSA | 228.376 |
5,417 | 8PON | X-RAY DIFFRACTION | 2023-07-05 | 2023-11-22 | null | null | null | null | 8PON | 2 | 2.2 | experimental | 10.1016/j.bmcl.2023.129488 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | ZUT | 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid | c1ccc(cc1)COc2cccc(c2)Nc3cc(ccc3C(=O)O)F | HSA | 337.35 |
5,418 | 8PON | X-RAY DIFFRACTION | 2023-07-05 | 2023-11-22 | null | null | null | null | 8PON | 2 | 2.2 | experimental | 10.1016/j.bmcl.2023.129488 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | MYR | MYRISTIC ACID | CCCCCCCCCCCCCC(=O)O | HSA | 228.376 |
5,419 | 8XOK | ELECTRON MICROSCOPY | 2024-01-01 | 2024-07-24 | null | null | null | null | 8XOK | 15 | 2.84 | experimental | 10.1002/1873-3468.14955 | Mammalian expression vector Flag-MCS-pcDNA3.1 | Homo sapiens | ATP-binding cassette sub-family C member 4 | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
5,420 | 8XOK | ELECTRON MICROSCOPY | 2024-01-01 | 2024-07-24 | null | null | null | null | 8XOK | 15 | 2.84 | experimental | 10.1002/1873-3468.14955 | Mammalian expression vector Flag-MCS-pcDNA3.1 | Homo sapiens | ATP-binding cassette sub-family C member 4 | 1 | DU0 | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(CO)CO)C)C)C)OC1 | HSA | 516.763 |
5,421 | 8YGQ | X-RAY DIFFRACTION | 2024-02-26 | 2025-03-05 | null | null | null | null | 8YGQ | 2 | 2.71 | experimental | null | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
5,422 | 8YGQ | X-RAY DIFFRACTION | 2024-02-26 | 2025-03-05 | null | null | null | null | 8YGQ | 2 | 2.71 | experimental | null | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | EUI | [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE | c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(C4CCCCN4)O | HSA | 531.316 |
5,423 | 9F54 | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F54 | 1 | 1.7 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | K3Y | 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide | Cn1cc(c(n1)C2CCCNC2)C(=O)N | HSA | 208.265 |
5,424 | 9JRK | ELECTRON MICROSCOPY | 2024-09-29 | 2025-02-26 | null | null | null | null | 9JRK | 1 | 3.44 | experimental | 10.1038/s41467-025-58378-1 | Homo sapiens | Escherichia coli, Homo sapiens | Soluble cytochrome b562,Reduced folate transporter,fusion protein | 1 | MTX | METHOTREXATE | CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O | HSA | 454.447 |
5,425 | 9KRM | ELECTRON MICROSCOPY | 2024-11-28 | 2025-09-24 | null | null | null | null | 9KRM | 1 | 3 | experimental | 10.1186/s13578-025-01377-y | Spodoptera frugiperda | Homo sapiens | ATP-binding cassette sub-family C member 4 | 1 | MTX | METHOTREXATE | CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O | HSA | 454.447 |
5,426 | 9UO1 | ELECTRON MICROSCOPY | 2025-04-24 | 2025-12-10 | null | null | null | null | 9UO1 | 56 | 2.9 | experimental | 10.1038/s41586-025-10029-7 | Homo sapiens | Homo sapiens | Organic solute transporter subunit alpha | 1 | 76F | (7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate | CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC | HSA | 742.032 |
5,443 | 1FDS | X-RAY DIFFRACTION | 1996-06-28 | 1997-02-12 | null | null | null | null | 1FDS | 1 | 1.7 | experimental | 10.1016/S0969-2126(96)00098-6 | unidentified baculovirus | Homo sapiens | 17-BETA-HYDROXYSTEROID-DEHYDROGENASE | 1 | EST | ESTRADIOL | CC12CCC3c4ccc(cc4CCC3C1CCC2O)O | HSA | 272.388 |
5,444 | 1IOL | X-RAY DIFFRACTION | 1996-06-20 | 1997-07-07 | null | null | null | null | 1IOL | 1 | 2.3 | experimental | 10.1038/nsb0896-665 | null | Homo sapiens | ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE | 1 | EST | ESTRADIOL | CC12CCC3c4ccc(cc4CCC3C1CCC2O)O | HSA | 272.388 |
5,445 | 2.00E+56 | X-RAY DIFFRACTION | 2006-12-19 | 2007-06-26 | null | null | null | null | 2.00E+56 | 5 | 2 | experimental | 10.1126/science.1139111 | Komagataella pastoris | Homo sapiens | Lymphocyte antigen 96 | 1 | NAG | 2-acetamido-2-deoxy-beta-D-glucopyranose | CC(=O)NC1C(C(C(OC1O)CO)O)O | HSA | 221.209 |
5,446 | 2.00E+56 | X-RAY DIFFRACTION | 2006-12-19 | 2007-06-26 | null | null | null | null | 2.00E+56 | 5 | 2 | experimental | 10.1126/science.1139111 | Komagataella pastoris | Homo sapiens | Lymphocyte antigen 96 | 1 | MYR | MYRISTIC ACID | CCCCCCCCCCCCCC(=O)O | HSA | 228.376 |
5,447 | 2WGJ | X-RAY DIFFRACTION | 2009-04-20 | 2009-06-02 | VGH | 2.5 | IC50 | nM | 2WGJ | 1 | 2 | experimental | 10.1021/JM2007613 | Spodoptera frugiperda | Homo sapiens | HEPATOCYTE GROWTH FACTOR RECEPTOR | 1 | VGH | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine | CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4 | HSA | 450.345 |
5,479 | 4A9J | X-RAY DIFFRACTION | 2011-11-26 | 2012-01-11 | null | null | null | null | 4A9J | 9 | 1.9 | experimental | 10.1021/JM201320W | Escherichia coli | Homo sapiens | BROMODOMAIN CONTAINING 2 | 1 | TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | CC(=O)Nc1ccc(cc1)O | HSA | 151.165 |
5,483 | 4IP7 | X-RAY DIFFRACTION | 2013-01-09 | 2013-01-30 | null | null | null | null | 4IP7 | 30 | 1.8 | experimental | 10.1021/bi301341r | Escherichia coli | Homo sapiens | Pyruvate kinase isozymes L | 1 | FLC | CITRATE ANION | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O | HSA | 189.099 |
5,484 | 4IP7 | X-RAY DIFFRACTION | 2013-01-09 | 2013-01-30 | null | null | null | null | 4IP7 | 30 | 1.8 | experimental | 10.1021/bi301341r | Escherichia coli | Homo sapiens | Pyruvate kinase isozymes L | 1 | FBP | 1,6-di-O-phosphono-beta-D-fructofuranose | C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O | HSA | 340.114 |
5,488 | 4IP7 | X-RAY DIFFRACTION | 2013-01-09 | 2013-01-30 | null | null | null | null | 4IP7 | 30 | 1.8 | experimental | 10.1021/bi301341r | Escherichia coli | Homo sapiens | Pyruvate kinase isozymes L | 1 | 1PE | PENTAETHYLENE GLYCOL | C(COCCOCCOCCOCCO)O | HSA | 238.28 |
5,489 | 4IP7 | X-RAY DIFFRACTION | 2013-01-09 | 2013-01-30 | null | null | null | null | 4IP7 | 30 | 1.8 | experimental | 10.1021/bi301341r | Escherichia coli | Homo sapiens | Pyruvate kinase isozymes L | 1 | ADN | ADENOSINE | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N | HSA | 267.245 |
5,490 | 4KTV | X-RAY DIFFRACTION | 2013-05-21 | 2014-07-16 | null | null | null | null | 4KTV | 17 | 3.3 | experimental | 10.1107/S2052252514012585 | Escherichia coli | Homo sapiens | Methionine adenosyltransferase 2 subunit beta | 2 | ADN | ADENOSINE | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N | HSA | 267.245 |
5,495 | 4OTI | X-RAY DIFFRACTION | 2014-02-13 | 2014-08-27 | MI1 | 170 | Kd | nM | 4OTI | 1 | 1.93 | experimental | 10.1371/journal.pone.0103638 | Trichoplusia ni | Homo sapiens | Serine/threonine-protein kinase N1 | 1 | MI1 | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N | HSA | 312.377 |
5,513 | 6S60 | X-RAY DIFFRACTION | 2019-07-02 | 2020-07-22 | KX8 | 4,600 | Kd | nM | 6S60 | 3 | 2 | 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 |
5,514 | 6S60 | X-RAY DIFFRACTION | 2019-07-02 | 2020-07-22 | KX8 | 4,600 | Kd | nM | 6S60 | 3 | 2 | experimental | 10.1016/j.ejmech.2021.113835 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | KX8 | 4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid | c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCCC(=O)O | HSA | 432.307 |
5,524 | 8PUY | X-RAY DIFFRACTION | 2023-07-17 | 2023-12-13 | null | null | null | null | 8PUY | 2 | 2.2 | experimental | 10.1021/acsmedchemlett.3c00386 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | F3Y | ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide | CCCCCOc1cccc(c1)Nc2cccc(c2)NC(=O)CC | HSA | 326.44 |
5,525 | 8PUY | X-RAY DIFFRACTION | 2023-07-17 | 2023-12-13 | null | null | null | null | 8PUY | 2 | 2.2 | experimental | 10.1021/acsmedchemlett.3c00386 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | MYR | MYRISTIC ACID | CCCCCCCCCCCCCC(=O)O | HSA | 228.376 |
5,526 | 9F4J | X-RAY DIFFRACTION | 2024-04-28 | 2024-05-08 | null | null | null | null | 9F4J | 1 | 1.4 | experimental | 10.1016/j.jbc.2025.108335 | Escherichia coli BL21(DE3) | Homo sapiens | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 1 | NWP | (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide | CC1CN(CCO1)S(=O)(=O)N(C)C(C)C | HSA | 236.337 |
5,527 | 9UO2 | ELECTRON MICROSCOPY | 2025-04-24 | 2025-12-10 | null | null | null | null | 9UO2 | 62 | 2.6 | experimental | 10.1038/s41586-025-10029-7 | Homo sapiens | Homo sapiens | Organic solute transporter subunit alpha | 1 | 76F | (7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate | CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC | HSA | 742.032 |
5,540 | 2J2P | X-RAY DIFFRACTION | 2006-08-17 | 2007-01-23 | null | null | null | null | 2J2P | 20 | 2.8 | experimental | 10.1038/SJ.EMBOJ.7601500 | Trichoplusia ni | Homo sapiens | FICOLIN-2 | 1 | BMA | beta-D-mannopyranose | C(C1C(C(C(C(O1)O)O)O)O)O | HSA | 180.156 |
5,541 | 2J2P | X-RAY DIFFRACTION | 2006-08-17 | 2007-01-23 | null | null | null | null | 2J2P | 20 | 2.8 | experimental | 10.1038/SJ.EMBOJ.7601500 | Trichoplusia ni | Homo sapiens | FICOLIN-2 | 1 | SC2 | N-ACETYL-L-CYSTEINE | CC(=O)NC(CS)C(=O)O | HSA | 163.198 |
5,546 | 3RC3 | X-RAY DIFFRACTION | 2011-03-30 | 2011-05-11 | null | null | null | null | 3RC3 | 4 | 2.08 | experimental | 10.1107/S0907444911040248 | Escherichia coli BL21(DE3) | Homo sapiens | ATP-dependent RNA helicase SUPV3L1, mitochondrial | 1 | ANP | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N | HSA | 506.198 |
5,547 | 4JQ3 | X-RAY DIFFRACTION | 2013-03-19 | 2014-04-02 | null | null | null | null | 4JQ3 | 12 | 1.75 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Aldo-keto reductase family 1 member C2 | 1 | ZOM | [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid | Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O | HSA | 291.734 |
5,548 | 4JQ3 | X-RAY DIFFRACTION | 2013-03-19 | 2014-04-02 | null | null | null | null | 4JQ3 | 12 | 1.75 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Aldo-keto reductase family 1 member C2 | 1 | NAP | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N | HSA | 743.409 |
5,550 | 4JQ3 | X-RAY DIFFRACTION | 2013-03-19 | 2014-04-02 | null | null | null | null | 4JQ3 | 12 | 1.75 | experimental | null | Escherichia coli BL21(DE3) | Homo sapiens | Aldo-keto reductase family 1 member C2 | 1 | TLA | L(+)-TARTARIC ACID | C(C(C(=O)O)O)(C(=O)O)O | HSA | 150.086 |
5,552 | 4LAX | X-RAY DIFFRACTION | 2013-06-20 | 2013-08-21 | FK5 | 23 | Kd | nM | 4LAX | 5 | 2.007 | experimental | 10.1016/j.jmb.2013.07.041 | Escherichia coli BL21(DE3) | Homo sapiens | Peptidyl-prolyl cis-trans isomerase FKBP4 | 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 |
5,578 | 5AUW | X-RAY DIFFRACTION | 2015-06-10 | 2015-10-07 | QUE | 8,900 | IC50 | nM | 5AUW | 1 | 1.5 | experimental | 10.1021/acs.jmedchem.5b00893 | Escherichia coli | Homo sapiens | Death-associated protein kinase 1 | 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 |
5,597 | 5O9U | X-RAY DIFFRACTION | 2017-06-20 | 2018-06-27 | null | null | null | null | 5O9U | 7 | 1.85 | experimental | 10.1038/s41589-018-0077-5 | null | Arabidopsis thaliana | Calcineurin B-like protein 4 | 2 | 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 |
5,600 | 5XXI | X-RAY DIFFRACTION | 2017-07-04 | 2017-10-25 | null | null | null | null | 5XXI | 5 | 2.3 | experimental | 10.1021/acs.biochem.7b00795 | Escherichia coli | Homo sapiens | Cytochrome P450 2C9 | 1 | LSN | [2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol | CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl | HSA | 422.92 |
5,601 | 5XXI | X-RAY DIFFRACTION | 2017-07-04 | 2017-10-25 | null | null | null | null | 5XXI | 5 | 2.3 | experimental | 10.1021/acs.biochem.7b00795 | Escherichia coli | Homo sapiens | Cytochrome P450 2C9 | 1 | HEM | PROTOPORPHYRIN IX CONTAINING FE | Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O | HSA | 616.499 |
5,603 | 6S69 | X-RAY DIFFRACTION | 2019-07-02 | 2020-07-22 | KX5 | 5,100 | Kd | nM | 6S69 | 3 | 2.15 | 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 |
5,604 | 6S69 | X-RAY DIFFRACTION | 2019-07-02 | 2020-07-22 | KX5 | 5,100 | Kd | nM | 6S69 | 3 | 2.15 | experimental | 10.1016/j.ejmech.2021.113835 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | KX5 | 3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid | c1ccc(cc1)CCNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O | HSA | 432.307 |
5,605 | 7CCU | X-RAY DIFFRACTION | 2020-06-18 | 2021-01-20 | null | null | null | null | 7CCU | 2 | 1.649 | experimental | 10.1107/S2052252520015614 | Escherichia coli | Homo sapiens | Death-associated protein kinase 1 | 1 | STL | RESVERATROL | c1cc(ccc1C=Cc2cc(cc(c2)O)O)O | HSA | 228.247 |
5,607 | 7OYJ | X-RAY DIFFRACTION | 2021-06-24 | 2022-05-25 | null | null | null | null | 7OYJ | 3 | 1.91 | experimental | 10.1021/acs.jmedchem.2c00075 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | PLM | PALMITIC ACID | CCCCCCCCCCCCCCCC(=O)O | HSA | 256.43 |
5,608 | 7OYJ | X-RAY DIFFRACTION | 2021-06-24 | 2022-05-25 | null | null | null | null | 7OYJ | 3 | 1.91 | experimental | 10.1021/acs.jmedchem.2c00075 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | 3DI | 3-(1~{H}-pyrazol-5-yl)aniline | c1cc(cc(c1)N)c2ccn[nH]2 | HSA | 159.192 |
5,609 | 7VRH | X-RAY DIFFRACTION | 2021-10-22 | 2023-02-01 | null | null | null | null | 7VRH | 4 | 2.2 | experimental | 10.1107/S2059798323005211 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 2 | 1 | AC2 | 9-HYROXYETHOXYMETHYLGUANINE | c1nc2c(n1COCCO)N=C(NC2=O)N | HSA | 225.208 |
5,610 | 7VRH | X-RAY DIFFRACTION | 2021-10-22 | 2023-02-01 | null | null | null | null | 7VRH | 4 | 2.2 | experimental | 10.1107/S2059798323005211 | Escherichia coli BL21(DE3) | Homo sapiens | Bromodomain-containing protein 2 | 1 | DTT | 2,3-DIHYDROXY-1,4-DITHIOBUTANE | C(C(C(CS)O)O)S | HSA | 154.256 |
5,612 | 8IZ9 | ELECTRON MICROSCOPY | 2023-04-06 | 2024-04-10 | XPG | 2,300 | IC50 | nM | 8IZ9 | 1 | 2.95 | experimental | 10.1038/s42003-023-04935-7 | Homo sapiens | Homo sapiens | ATP-binding cassette sub-family C member 4 | 1 | XPG | 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid | CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O | HSA | 354.487 |
5,613 | 8PUX | X-RAY DIFFRACTION | 2023-07-17 | 2023-12-13 | null | null | null | null | 8PUX | 2 | 2.05 | experimental | 10.1021/acsmedchemlett.3c00386 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | B3F | ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide | CCCCCOc1cccc(c1)Nc2ccccc2NC(=O)CC | HSA | 326.44 |
5,614 | 8PUX | X-RAY DIFFRACTION | 2023-07-17 | 2023-12-13 | null | null | null | null | 8PUX | 2 | 2.05 | experimental | 10.1021/acsmedchemlett.3c00386 | Escherichia coli | Homo sapiens | Transcriptional enhancer factor TEF-4 | 1 | MYR | MYRISTIC ACID | CCCCCCCCCCCCCC(=O)O | HSA | 228.376 |
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