8HGK
| Crystal structure of human ClpP in complex with ZK53 | 分子名称: | 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | 著者 | Yang, C.-G, Gan, J.H, Zhou, L.-L. | 登録日 | 2022-11-14 | 公開日 | 2023-09-27 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selective activator of human ClpP triggers cell cycle arrest to inhibit lung squamous cell carcinoma. Nat Commun, 14, 2023
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5CES
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5CPE
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-21 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5COI
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid, Bromodomain-containing protein 4 | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-20 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CP5
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, Bromodomain-containing protein 4, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-21 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CS8
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-23 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5D0C
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-08-03 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CTL
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-24 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CRM
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-23 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CY9
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-30 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CQT
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-22 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CRZ
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-23 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5XE1
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with INCB14943 | 分子名称: | 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Xu, J, Wu, U, Liu, J. | 登録日 | 2017-03-31 | 公開日 | 2017-05-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural insights into the binding mechanism of IDO1 with hydroxylamidine based inhibitor INCB14943 Biochem. Biophys. Res. Commun., 487, 2017
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5X5O
| Crystal structure of ZAK in complex with compound D2829 | 分子名称: | Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide | 著者 | Dai, Y.B, Zhao, P, Yun, C.H. | 登録日 | 2017-02-17 | 公開日 | 2017-12-27 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.868 Å) | 主引用文献 | Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors. J. Med. Chem., 60, 2017
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5Y93
| Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-22 | 公開日 | 2018-06-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y8W
| Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-21 | 公開日 | 2018-06-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y94
| Crystal Structure Analysis of the BRD4 | 分子名称: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-22 | 公開日 | 2018-06-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5YQX
| Crystal Structure Analysis of the BRD4 | 分子名称: | (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | 著者 | Xue, X, Zhang, Y, Wang, C, Song, M. | 登録日 | 2017-11-08 | 公開日 | 2018-11-28 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer. Eur.J.Med.Chem., 152, 2018
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5Y8Y
| Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-21 | 公開日 | 2018-06-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y8Z
| Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-22 | 公開日 | 2018-06-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y8C
| Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-21 | 公開日 | 2018-06-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Z1S
| Crystal Structure Analysis of the BRD4(1) | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | 登録日 | 2017-12-28 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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5Z1R
| Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | 登録日 | 2017-12-28 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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5Z1T
| Crystal Structure Analysis of the BRD4(1) | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | 登録日 | 2017-12-28 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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7F3N
| Structure of PopP2 in apo form | 分子名称: | Type III effector protein popp2 | 著者 | Xia, Y, Zhang, Z.M. | 登録日 | 2021-06-16 | 公開日 | 2021-11-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.351856 Å) | 主引用文献 | Secondary-structure switch regulates the substrate binding of a YopJ family acetyltransferase. Nat Commun, 12, 2021
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