8WY3
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![BU of 8wy3 by Molmil](/molmil-images/mine/8wy3) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21 | 分子名称: | Bromodomain-containing protein 4, ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | 登録日 | 2023-10-30 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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8DBT
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1YSN
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![BU of 1ysn by Molmil](/molmil-images/mine/1ysn) | Solution structure of the anti-apoptotic protein Bcl-xL complexed with an acyl-sulfonamide-based ligand | 分子名称: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X | 著者 | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | 登録日 | 2005-02-08 | 公開日 | 2005-06-07 | 最終更新日 | 2023-11-29 | 実験手法 | SOLUTION NMR | 主引用文献 | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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8DBP
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8DBS
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8WYG
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![BU of 8wyg by Molmil](/molmil-images/mine/8wyg) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22 | 分子名称: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2 | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | 登録日 | 2023-10-30 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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8DBW
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8CX9
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![BU of 8cx9 by Molmil](/molmil-images/mine/8cx9) | Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism | 分子名称: | BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ... | 著者 | Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S. | 登録日 | 2022-05-20 | 公開日 | 2023-01-25 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site. Plos Pathog., 18, 2022
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8DBU
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8DBQ
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8DBV
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6F85
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8WXY
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![BU of 8wxy by Molmil](/molmil-images/mine/8wxy) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23 | 分子名称: | 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | 登録日 | 2023-10-30 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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6F8A
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8DI4
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![BU of 8di4 by Molmil](/molmil-images/mine/8di4) | Discovery of MK-8189, a highly potent and selective PDE10A inhibitor for the treatment of schizophrenia | 分子名称: | 2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | 著者 | Hayes, R.P, Yan, Y. | 登録日 | 2022-06-28 | 公開日 | 2023-02-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.016 Å) | 主引用文献 | Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia. J.Med.Chem., 66, 2023
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5HP8
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6FAF
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![BU of 6faf by Molmil](/molmil-images/mine/6faf) | Crystal structure of human carbonic anhydrase I in complex with the 3-(2,5-dimethylphenyl)-1-(2-hydroxy-5-sulfamoylphenyl)urea inhibitor | 分子名称: | 1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, Carbonic anhydrase 1, GLYCEROL, ... | 著者 | Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. | 登録日 | 2017-12-15 | 公開日 | 2018-10-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX. J. Med. Chem., 61, 2018
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8VUW
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![BU of 8vuw by Molmil](/molmil-images/mine/8vuw) | ELIC5 with cysteamine in 2:1:1 POPC:POPE:POPG nanodisc in open conformation | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-AMINO-ETHANETHIOL, Erwinia chrysanthemi ligand-gated ion channel | 著者 | Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L. | 登録日 | 2024-01-29 | 公開日 | 2024-02-07 | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | 主引用文献 | Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation. Nat Commun, 13, 2022
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7PR7
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![BU of 7pr7 by Molmil](/molmil-images/mine/7pr7) | Crystal structure of human heparanase in complex with covalent inhibitor VL166 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wu, L, Armstrong, Z, Davies, G.J. | 登録日 | 2021-09-21 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PR8
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![BU of 7pr8 by Molmil](/molmil-images/mine/7pr8) | Crystal structure of human heparanase in complex with covalent inhibitor GR109 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wu, L, Armstrong, Z, Davies, G.J. | 登録日 | 2021-09-21 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PRT
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![BU of 7prt by Molmil](/molmil-images/mine/7prt) | Crystal structure of human heparanase in complex with covalent inhibitor CB678 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-alpha-D-arabino-hexopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, ... | 著者 | Wu, L, Armstrong, Z, Davies, G.J. | 登録日 | 2021-09-22 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PRB
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![BU of 7prb by Molmil](/molmil-images/mine/7prb) | Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor GR109 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Glyco_hydro_44 domain-containing protein | 著者 | Wu, L, Armstrong, Z, Davies, G.J. | 登録日 | 2021-09-21 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PSI
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![BU of 7psi by Molmil](/molmil-images/mine/7psi) | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor ME727 | 分子名称: | (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase, SULFATE ION | 著者 | Armstrong, Z, Wu, L, Davies, G.J. | 登録日 | 2021-09-23 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PSK
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![BU of 7psk by Molmil](/molmil-images/mine/7psk) | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor GR109 | 分子名称: | 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase | 著者 | Armstrong, Z, Wu, L, Davies, G.J. | 登録日 | 2021-09-23 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PSH
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