5IGK
| Crystal structure of the first bromodomain of human BRD4 in complex with bromosporine (BSP) | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-02-28 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia. Sci Adv, 2, 2016
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5JWM
| Bivalent BET Bromodomain Inhibition | 分子名称: | 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]-~{N}-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide, Bromodomain-containing protein 4 | 著者 | Seo, H.-S, Dhe-Paganon, S. | 登録日 | 2016-05-12 | 公開日 | 2016-07-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Design and characterization of bivalent BET inhibitors. Nat.Chem.Biol., 12, 2016
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4J3I
| X-ray crystal structure of bromodomain complex to 1.24 A resolution | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4, ... | 著者 | Stein, A.J, White, A, Suto, R.K. | 登録日 | 2013-02-05 | 公開日 | 2014-01-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist. Plos One, 8, 2013
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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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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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6FO5
| FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR #17 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide | 著者 | Raux, B, Betzi, S. | 登録日 | 2018-02-06 | 公開日 | 2018-06-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach. J. Med. Chem., 61, 2018
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6TPY
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6FNX
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6TPX
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6TPZ
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | 分子名称: | 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2019-12-15 | 公開日 | 2020-01-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.299 Å) | 主引用文献 | Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening. J.Med.Chem., 63, 2020
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4CLB
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-295 | 分子名称: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | 著者 | Chung, C, Atkinson, S. | 登録日 | 2014-01-13 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes. Medchemcomm, 5, 2014
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4CL9
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET295 | 分子名称: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | 著者 | Chung, C, Atkinson, S. | 登録日 | 2014-01-13 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes. Medchemcomm, 5, 2014
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8B5B
| Human BRD4 bromdomain 1 in complex with a H4 peptide containing acetyl lysine and ApmTri (H4K5acK8ApmTri) | 分子名称: | Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, H4K5acK8ApmTri | 著者 | Braun, M.B, Bartlick, N, Stehle, T. | 登録日 | 2022-09-22 | 公開日 | 2023-01-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family. Angew.Chem.Int.Ed.Engl., 62, 2023
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8B5C
| Human BRD4 bromdomain 1 in complex with a H4 peptide containing ApmTri (H4K5/8ApmTri) | 分子名称: | Bromodomain-containing protein 4, H4K5/8ApmTri | 著者 | Braun, M.B, Bartlick, N, Stehle, T. | 登録日 | 2022-09-22 | 公開日 | 2023-01-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family. Angew.Chem.Int.Ed.Engl., 62, 2023
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6YQZ
| N-terminal domain of BRD4 with biphenyl-methyamino-dimethylpyridazinone | 分子名称: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2020-04-18 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)/Bromodomain-Containing Protein 9 (BRD9) Bromodomains. J.Med.Chem., 63, 2020
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6Z7L
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with GSK789 | 分子名称: | (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2020-05-31 | 公開日 | 2020-07-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.624 Å) | 主引用文献 | GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 63, 2020
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6ZB3
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK620 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, PENTAETHYLENE GLYCOL, ... | 著者 | Chung, C. | 登録日 | 2020-06-06 | 公開日 | 2020-08-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.419 Å) | 主引用文献 | The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. J.Med.Chem., 63, 2020
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6Z7G
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6Z7M
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide | 分子名称: | (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2020-05-31 | 公開日 | 2020-07-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 63, 2020
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8PXM
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) | 分子名称: | (1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Chung, C.W. | 登録日 | 2023-07-23 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.378 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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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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6FFD
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5HLS
| Crystal structure of the first bromodomain of human BRD4 bound to CPI-0610 | 分子名称: | Bromodomain-containing protein 4, CPI-0610 | 著者 | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | 登録日 | 2016-01-15 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.182 Å) | 主引用文献 | Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials. J.Med.Chem., 59, 2016
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5HM0
| Crystal structure of the first bromodomain of human BRD4 bound to benzoisoxazoloazepine 3 | 分子名称: | 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine, Bromodomain-containing protein 4 | 著者 | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | 登録日 | 2016-01-15 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.395 Å) | 主引用文献 | Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials. J.Med.Chem., 59, 2016
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5HCL
| Crystal Structure of the first bromodomain of BRD4 in complex with DMA | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N},~{N}-dimethylethanamide | 著者 | Dong, J, Weber, F.E, Caflisch, A. | 登録日 | 2016-01-04 | 公開日 | 2017-01-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | N,N Dimethylacetamide a drug excipient that acts as bromodomain ligand for osteoporosis treatment. Sci Rep, 7, 2017
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