5OVB
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6X7B
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8PXN
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) | 分子名称: | (1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2023-07-23 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.952 Å) | 主引用文献 | Design and Characterization of 1,3-Dihydro-2 H -benzo[ d ]azepin-2-ones as Rule-of-5 Compliant Bivalent BET Inhibitors. Acs Med.Chem.Lett., 14, 2023
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3SVF
| Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand | 分子名称: | (4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2011-07-12 | 公開日 | 2011-08-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.975 Å) | 主引用文献 | Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand TO BE PUBLISHED
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6ZCI
| Crystal structure of BRD4-BD1 in complex with NVS-BET-1 | 分子名称: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4 | 著者 | Faller, M. | 登録日 | 2020-06-11 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.976 Å) | 主引用文献 | BET bromodomain inhibitors regulate keratinocyte plasticity. Nat.Chem.Biol., 17, 2021
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5XHY
| BRD4 bound with compound Bdi1 | 分子名称: | Bromodomain-containing protein 4, ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide | 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 (1.976 Å) | 主引用文献 | BRD4 bound with compound Bdi1 To Be Published
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7W3D
| Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | 分子名称: | Bromodomain-containing protein 4, N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | 著者 | Park, T.H, Lee, B.I. | 登録日 | 2021-11-25 | 公開日 | 2022-09-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery of BET specific bromodomain inhibitors with a novel scaffold. Bioorg.Med.Chem., 72, 2022
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6LG6
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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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5UVV
| BRD4 Bromodomain 2 with A-1457066 | 分子名称: | 7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one, Bromodomain-containing protein 4 | 著者 | Park, C.H. | 登録日 | 2017-02-20 | 公開日 | 2017-06-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | BRD4 Bromodomain 2 with A-1457066 To Be Published
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5Z5T
| The first bromodomain of BRD4 with compound BDF-2141 | 分子名称: | 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4 | 著者 | Zhang, H, Luo, C. | 登録日 | 2018-01-20 | 公開日 | 2019-01-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.991 Å) | 主引用文献 | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma. Oncogenesis, 7, 2018
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5U2E
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6AFR
| Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | 分子名称: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | 著者 | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | 登録日 | 2018-08-08 | 公開日 | 2018-12-12 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | 主引用文献 | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors Eur J Med Chem, 163, 2018
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6JI5
| brd4-bd1 bound with ligand 167 | 分子名称: | (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | 著者 | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | 登録日 | 2019-02-20 | 公開日 | 2020-02-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | brd4-bd1 bound with ligand 167 To Be Published
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4O77
| Crystal structure of the first bromodomain of human BRD4 in complex with SB 202190 | 分子名称: | 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol, Bromodomain-containing protein 4 | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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6UWU
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516 | 分子名称: | 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4 | 著者 | Leonard, P.G, Joseph, S. | 登録日 | 2019-11-05 | 公開日 | 2020-04-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation. J.Med.Chem., 63, 2020
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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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6Q3Z
| Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | 分子名称: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-04 | 公開日 | 2019-03-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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5Z8R
| BRD4 Bromodomain 1 with an inhibitor | 分子名称: | 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4 | 著者 | Xiao, S, Chen, S, Chen, H. | 登録日 | 2018-02-01 | 公開日 | 2019-02-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | BRD4 Bromodomain 1 with an inhibitor To Be Published
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4KV4
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5ACY
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-(2R,4S)-2-methyl-4-(phenylamino)-6-4-(piperidin-1-ylmethyl)phenyl-1,2,3,4- tetrahydroquinolin-1-yl-ethan-1-one | 分子名称: | 1,2-ETHANEDIOL, 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone, BROMODOMAIN-CONTAINING PROTEIN 4 | 著者 | Chung, C. | 登録日 | 2015-08-18 | 公開日 | 2015-10-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Autism-Like Syndrome is Induced by Pharmacological Suppression of Bet Proteins in Young Mice. J.Exp.Med., 212, 2015
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5AD2
| Bivalent binding to BET bromodomains | 分子名称: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | 著者 | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | 登録日 | 2015-08-19 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Potent and Selective Bivalent Inhibitors of Bet Bromodomains Nat.Chem.Biol., 12, 2016
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3UVY
| Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K16acK20ac) | 分子名称: | Bromodomain-containing protein 4, Histone H4 | 著者 | Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2011-11-30 | 公開日 | 2012-01-18 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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4XYA
| Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand | 分子名称: | 1,2-ETHANEDIOL, 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine, Bromodomain-containing protein 4 | 著者 | Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | 登録日 | 2015-02-02 | 公開日 | 2015-03-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain. J.Med.Chem., 58, 2015
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7USJ
| BRD4-BD2 in complex with SF2523 | 分子名称: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4 | 著者 | Jayasinghe, T.D, Ronning, D.R. | 登録日 | 2022-04-25 | 公開日 | 2023-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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