8EAD
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![BU of 8ead by Molmil](/molmil-images/mine/8ead) | |
4UIX
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![BU of 4uix by Molmil](/molmil-images/mine/4uix) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2- carboxamide | 分子名称: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, CALCIUM ION, ... | 著者 | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | 登録日 | 2015-04-03 | 公開日 | 2015-04-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J.Med.Chem., 59, 2016
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4UIY
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![BU of 4uiy by Molmil](/molmil-images/mine/4uiy) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(1,1-dioxo-1-thian-4-yl)- 5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c- pyridine-2-carboximidamide | 分子名称: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, N-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | 著者 | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | 登録日 | 2015-04-03 | 公開日 | 2015-04-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J.Med.Chem., 59, 2016
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4UIT
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![BU of 4uit by Molmil](/molmil-images/mine/4uit) | BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-2-(4- methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one | 分子名称: | 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 9 | 著者 | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | 登録日 | 2015-04-03 | 公開日 | 2015-04-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J.Med.Chem., 59, 2016
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4UIW
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![BU of 4uiw by Molmil](/molmil-images/mine/4uiw) | BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-ethyl-4- oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2- carboximidamide | 分子名称: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 9, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | 著者 | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | 登録日 | 2015-04-03 | 公開日 | 2015-04-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J.Med.Chem., 59, 2016
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4UIU
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![BU of 4uiu by Molmil](/molmil-images/mine/4uiu) | BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1- thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2-carboxamide | 分子名称: | BROMODOMAIN-CONTAINING PROTEIN 9, N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide | 著者 | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | 登録日 | 2015-04-03 | 公開日 | 2015-04-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J.Med.Chem., 59, 2016
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4UIZ
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![BU of 4uiz by Molmil](/molmil-images/mine/4uiz) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-2-(4-methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one | 分子名称: | 1,2-ETHANEDIOL, 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 4 | 著者 | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | 登録日 | 2015-04-03 | 公開日 | 2015-04-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J.Med.Chem., 59, 2016
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8E17
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![BU of 8e17 by Molmil](/molmil-images/mine/8e17) | BRD4-D1 in complex with BET inhibitor | 分子名称: | (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | 登録日 | 2022-08-09 | 公開日 | 2023-03-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography. Chem.Commun.(Camb.), 59, 2023
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8DYR
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![BU of 8dyr by Molmil](/molmil-images/mine/8dyr) | BRD4-D1 in complex with BET inhibitor | 分子名称: | (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | 登録日 | 2022-08-04 | 公開日 | 2023-03-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography. Chem.Commun.(Camb.), 59, 2023
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8E3W
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![BU of 8e3w by Molmil](/molmil-images/mine/8e3w) | BRD4-D1 in complex with BET inhibitor | 分子名称: | (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | 登録日 | 2022-08-17 | 公開日 | 2023-03-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography. Chem.Commun.(Camb.), 59, 2023
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8DNQ
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![BU of 8dnq by Molmil](/molmil-images/mine/8dnq) | |
8F6G
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![BU of 8f6g by Molmil](/molmil-images/mine/8f6g) | |
8C11
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![BU of 8c11 by Molmil](/molmil-images/mine/8c11) | |
6MF9
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![BU of 6mf9 by Molmil](/molmil-images/mine/6mf9) | Crystal structure of CGD4-650 with compound BI2536 | 分子名称: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ZnKn (C2HC)+Athook+bromo domain protein, Taf250, ... | 著者 | Dong, A, Lin, Y.L, Hou, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Structural Genomics Consortium (SGC) | 登録日 | 2018-09-10 | 公開日 | 2018-10-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.037 Å) | 主引用文献 | Crystal structure of CGD4-650 with compound BI2536 to be published
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6MAU
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![BU of 6mau by Molmil](/molmil-images/mine/6mau) | Crystal structure of human BRD4(1) in complex with CN210 (compound 19) | 分子名称: | 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, Bromodomain-containing protein 4, GLYCEROL | 著者 | Nadupalli, A, Fontano, E, Connors, C.R, Chan, S.G, Olland, A.M, Lakshminarasimhan, D, White, A, Suto, R.K. | 登録日 | 2018-08-28 | 公開日 | 2019-04-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases. Bioorg. Med. Chem. Lett., 29, 2019
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6LU5
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![BU of 6lu5 by Molmil](/molmil-images/mine/6lu5) | Crystal structure of BPTF-BRD with ligand DCBPin5 bound | 分子名称: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | 著者 | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | 登録日 | 2020-01-25 | 公開日 | 2021-04-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.86527729 Å) | 主引用文献 | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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6LU6
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![BU of 6lu6 by Molmil](/molmil-images/mine/6lu6) | Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound | 分子名称: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | 著者 | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | 登録日 | 2020-01-26 | 公開日 | 2021-04-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.970063 Å) | 主引用文献 | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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6MH7
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![BU of 6mh7 by Molmil](/molmil-images/mine/6mh7) | Crystal structure of the first bromodomain of human BRD4 in complex with SKT-68, a 1,4,5-trisubstituted imidazole analogue | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | 著者 | Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2018-09-17 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor. J.Med.Chem., 61, 2018
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6MOA
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![BU of 6moa by Molmil](/molmil-images/mine/6moa) | C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor | 分子名称: | 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, Bromodomain-containing protein 2, GLYCEROL | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.271 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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6MH1
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![BU of 6mh1 by Molmil](/molmil-images/mine/6mh1) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH HU-10, A 1,4,5-Trisubstituted Imidazole Analogue | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine | 著者 | Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2018-09-17 | 公開日 | 2019-08-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor. J.Med.Chem., 61, 2018
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6MO7
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![BU of 6mo7 by Molmil](/molmil-images/mine/6mo7) | N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor | 分子名称: | Bromodomain-containing protein 2, N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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6MNL
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![BU of 6mnl by Molmil](/molmil-images/mine/6mnl) | |
6MO9
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![BU of 6mo9 by Molmil](/molmil-images/mine/6mo9) | N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor | 分子名称: | Bromodomain-containing protein 2, N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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6MR4
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![BU of 6mr4 by Molmil](/molmil-images/mine/6mr4) | Crystal structure of the Sth1 bromodomain from S.cerevisiae | 分子名称: | Nuclear protein STH1/NPS1 | 著者 | Seo, H.S, Hashimoto, H, Krolak, A, Debler, E.W, Blus, B.J. | 登録日 | 2018-10-11 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Substrate Affinity and Specificity of the ScSth1p Bromodomain Are Fine-Tuned for Versatile Histone Recognition. Structure, 27, 2019
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6MO8
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![BU of 6mo8 by Molmil](/molmil-images/mine/6mo8) | N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor | 分子名称: | 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline, Bromodomain-containing protein 2, SULFATE ION | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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