7JKY
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![BU of 7jky by Molmil](/molmil-images/mine/7jky) | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-126 | 分子名称: | Bromodomain-containing protein 4, N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide, SODIUM ION | 著者 | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | 登録日 | 2020-07-29 | 公開日 | 2021-08-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. J.Med.Chem., 63, 2020
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7JKW
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![BU of 7jkw by Molmil](/molmil-images/mine/7jkw) | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with ZN1-99 | 分子名称: | Bromodomain-containing protein 4, N-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1H-indol-4-yl)ethanesulfonamide | 著者 | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | 登録日 | 2020-07-29 | 公開日 | 2021-08-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. J.Med.Chem., 63, 2020
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7DHS
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![BU of 7dhs by Molmil](/molmil-images/mine/7dhs) | Crystal Structure Analysis of the BRD4 | 分子名称: | 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one, Bromodomain-containing protein 4 | 著者 | Wu, T, Xiang, Q, Wang, C, Wu, C, Zhang, C, Zhang, M, Liu, Z, Zhang, Y, Xiao, L, Xu, Y. | 登録日 | 2020-11-17 | 公開日 | 2021-09-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Y06014 is a selective BET inhibitor for the treatment of prostate cancer. Acta Pharmacol.Sin., 42, 2021
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6CJ2
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![BU of 6cj2 by Molmil](/molmil-images/mine/6cj2) | |
6CJ1
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![BU of 6cj1 by Molmil](/molmil-images/mine/6cj1) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071 | 分子名称: | 1,2-ETHANEDIOL, 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ... | 著者 | Xu, X, Blacklow, S.C. | 登録日 | 2018-02-25 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CIS
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![BU of 6cis by Molmil](/molmil-images/mine/6cis) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG047 | 分子名称: | 1,2-ETHANEDIOL, 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | 著者 | Xu, X, Blacklow, S.C. | 登録日 | 2018-02-25 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CIY
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![BU of 6ciy by Molmil](/molmil-images/mine/6ciy) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG069 | 分子名称: | 1,2-ETHANEDIOL, 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | 著者 | Xu, X, Blacklow, S.C. | 登録日 | 2018-02-25 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CD4
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![BU of 6cd4 by Molmil](/molmil-images/mine/6cd4) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG046 | 分子名称: | 1,2-ETHANEDIOL, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | 著者 | Xu, X, Blacklow, S.C. | 登録日 | 2018-02-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CD5
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![BU of 6cd5 by Molmil](/molmil-images/mine/6cd5) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD17-26 | 分子名称: | 1,2-ETHANEDIOL, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | 著者 | Xu, X, Blacklow, S.C. | 登録日 | 2018-02-08 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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5LUU
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![BU of 5luu by Molmil](/molmil-images/mine/5luu) | Structure of the first bromodomain of BRD4 with a pyrazolo[4,3-c]pyridin fragment | 分子名称: | 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC) | 登録日 | 2016-09-11 | 公開日 | 2016-10-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett, 7, 2016
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8P9G
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![BU of 8p9g by Molmil](/molmil-images/mine/8p9g) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9H
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![BU of 8p9h by Molmil](/molmil-images/mine/8p9h) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9K
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![BU of 8p9k by Molmil](/molmil-images/mine/8p9k) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9I
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![BU of 8p9i by Molmil](/molmil-images/mine/8p9i) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9F
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![BU of 8p9f by Molmil](/molmil-images/mine/8p9f) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9L
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![BU of 8p9l by Molmil](/molmil-images/mine/8p9l) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9J
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![BU of 8p9j by Molmil](/molmil-images/mine/8p9j) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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5KHM
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![BU of 5khm by Molmil](/molmil-images/mine/5khm) | The first BET bromodomain of BRD4 bound to compound 13 in a bivalent manner | 分子名称: | (3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one, Bromodomain-containing protein 4, GLYCEROL | 著者 | Patel, J. | 登録日 | 2016-06-15 | 公開日 | 2016-09-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Optimization of a Series of Bivalent Triazolopyridazine Based Bromodomain and Extraterminal Inhibitors: The Discovery of (3R)-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one (AZD5153). J.Med.Chem., 59, 2016
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4J0R
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![BU of 4j0r by Molmil](/molmil-images/mine/4j0r) | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | 分子名称: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4, ... | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-01-31 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
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4J0S
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![BU of 4j0s by Molmil](/molmil-images/mine/4j0s) | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | 分子名称: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-01-31 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
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6YQN
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![BU of 6yqn by Molmil](/molmil-images/mine/6yqn) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | 著者 | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-04-17 | 公開日 | 2020-05-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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6YQP
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![BU of 6yqp by Molmil](/molmil-images/mine/6yqp) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22 | 分子名称: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-04-17 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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6YQO
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![BU of 6yqo by Molmil](/molmil-images/mine/6yqo) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12 | 分子名称: | (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-04-17 | 公開日 | 2020-05-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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5KJ0
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![BU of 5kj0 by Molmil](/molmil-images/mine/5kj0) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH DB-1-264-2 | 分子名称: | 1,2-ETHANEDIOL, 4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | 著者 | Zhu, J.-Y, Ember, S.W, Schonbrunn, E. | 登録日 | 2016-06-17 | 公開日 | 2017-08-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Assessment of Bromodomain Target Engagement by a Series of BI2536 Analogues with Miniaturized BET-BRET. ChemMedChem, 11, 2016
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7UTY
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![BU of 7uty by Molmil](/molmil-images/mine/7uty) | First bromodomain of BRD4 liganded with compound 2c | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | 著者 | Schonbrunn, E, Chan, A. | 登録日 | 2022-04-28 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains. Arch Pharm, 355, 2022
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