6SAH
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![BU of 6sah by Molmil](/molmil-images/mine/6sah) | Crystal Structure of BRD4(1) bound to inhibitor BUX5 (11) | 分子名称: | Bromodomain-containing protein 4, ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | 著者 | Huegle, M. | 登録日 | 2019-07-16 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SA3
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![BU of 6sa3 by Molmil](/molmil-images/mine/6sa3) | Crystal Structure of BRD4(1) bound to inhibitor BUX4 (13) | 分子名称: | Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | 著者 | Huegle, M. | 登録日 | 2019-07-16 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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5XI2
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![BU of 5xi2 by Molmil](/molmil-images/mine/5xi2) | BRD4 bound with compound Bdi2 | 分子名称: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | 著者 | Xiong, B, Cao, D, Li, Y. | 登録日 | 2017-04-25 | 公開日 | 2018-05-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | 主引用文献 | BRD4 bound with compound Bdi2 To Be Published
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5XXH
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![BU of 5xxh by Molmil](/molmil-images/mine/5xxh) | Crystal Structure Analysis of the CBP | 分子名称: | (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ... | 著者 | Xiang, Q, Zhang, Y, Wang, C, Song, M. | 登録日 | 2017-07-04 | 公開日 | 2018-06-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer. Eur J Med Chem, 147, 2018
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6SB8
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![BU of 6sb8 by Molmil](/molmil-images/mine/6sb8) | Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7) | 分子名称: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | 著者 | Huegle, M. | 登録日 | 2019-07-19 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SAJ
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![BU of 6saj by Molmil](/molmil-images/mine/6saj) | Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12) | 分子名称: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | 著者 | Huegle, M. | 登録日 | 2019-07-16 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SE4
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![BU of 6se4 by Molmil](/molmil-images/mine/6se4) | Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor | 分子名称: | (+)-JD1, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | 著者 | Krojer, T, Hassell-Hart, S, Picaud, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Spencer, J, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2019-07-29 | 公開日 | 2019-08-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor To Be Published
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5Y93
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![BU of 5y93 by Molmil](/molmil-images/mine/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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6SWN
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![BU of 6swn by Molmil](/molmil-images/mine/6swn) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD1 (GSK778) | 分子名称: | 1,2-ETHANEDIOL, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4, ... | 著者 | Chung, C. | 登録日 | 2019-09-22 | 公開日 | 2020-04-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation. Science, 368, 2020
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6SQE
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![BU of 6sqe by Molmil](/molmil-images/mine/6sqe) | Crystal structure of CREBBP bromodomain complexed with KD341 | 分子名称: | 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide | 著者 | Bedi, R.K, Kirillova, M, Nevado, C, Caflisch, A. | 登録日 | 2019-09-03 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.506 Å) | 主引用文献 | Crystal structure of CREBBP bromodomain complexed with KD341 To Be Published
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5Y8W
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![BU of 5y8w by Molmil](/molmil-images/mine/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
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![BU of 5y94 by Molmil](/molmil-images/mine/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
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![BU of 5yqx by Molmil](/molmil-images/mine/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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6SWQ
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![BU of 6swq by Molmil](/molmil-images/mine/6swq) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD2 (GSK046) | 分子名称: | 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2019-09-22 | 公開日 | 2020-04-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | 主引用文献 | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation. Science, 368, 2020
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6SXX
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![BU of 6sxx by Molmil](/molmil-images/mine/6sxx) | Crystal structure of the bromodomain of human CREBBP in complex with ACA007 | 分子名称: | (3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREBBP | 著者 | Xiang, W, Bedi, R.K, Sledz, P, Caflisch, A. | 登録日 | 2019-09-26 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Crystal structure of the bromodomain of human CREBBP in complex with ACA007 To Be Published
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6SWP
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![BU of 6swp by Molmil](/molmil-images/mine/6swp) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD2 (GSK046) | 分子名称: | 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 2 | 著者 | Chung, C. | 登録日 | 2019-09-22 | 公開日 | 2020-04-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.604 Å) | 主引用文献 | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation. Science, 368, 2020
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5Y1Y
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![BU of 5y1y by Molmil](/molmil-images/mine/5y1y) | |
6SW3
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![BU of 6sw3 by Molmil](/molmil-images/mine/6sw3) | |
5Y8Y
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![BU of 5y8y by Molmil](/molmil-images/mine/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
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![BU of 5y8z by Molmil](/molmil-images/mine/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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6SQF
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![BU of 6sqf by Molmil](/molmil-images/mine/6sqf) | |
5YOV
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![BU of 5yov by Molmil](/molmil-images/mine/5yov) | Crystal structure of BRD4-BD1 bound with hjp126 | 分子名称: | (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide, Bromodomain-containing protein 4 | 著者 | Xiong, B, Hu, J, Li, Y, Cao, D. | 登録日 | 2017-10-31 | 公開日 | 2018-11-07 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | 主引用文献 | Structure-based optimization of a series of selective BET inhibitors containing aniline or indoline groups. Eur.J.Med.Chem., 150, 2018
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6SWO
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![BU of 6swo by Molmil](/molmil-images/mine/6swo) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD1 (GSK778) | 分子名称: | 1,2-ETHANEDIOL, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 2 | 著者 | Chung, C. | 登録日 | 2019-09-22 | 公開日 | 2020-04-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | 主引用文献 | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation. Science, 368, 2020
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6SQM
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![BU of 6sqm by Molmil](/molmil-images/mine/6sqm) | Crystal structure of CREBBP bromodomain complexed with LA36 | 分子名称: | 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide | 著者 | Bedi, R.K, Laul, E, Nevado, C, Caflisch, A. | 登録日 | 2019-09-04 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of CREBBP bromodomain complexed with LA36 To Be Published
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5Y8C
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![BU of 5y8c by Molmil](/molmil-images/mine/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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