6FFF
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![BU of 6fff by Molmil](/molmil-images/mine/6fff) | Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide | 分子名称: | (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Chung, C. | 登録日 | 2018-01-07 | 公開日 | 2019-01-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain. J.Med.Chem., 61, 2018
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6FFG
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![BU of 6ffg by Molmil](/molmil-images/mine/6ffg) | Human BRD2 C-terminal bromodomain with (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone | 分子名称: | (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Chung, C. | 登録日 | 2018-01-07 | 公開日 | 2019-01-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain. J.Med.Chem., 61, 2018
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3D83
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![BU of 3d83 by Molmil](/molmil-images/mine/3d83) | |
3E92
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![BU of 3e92 by Molmil](/molmil-images/mine/3e92) | Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 14, N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | 著者 | Somers, D.O, Patel, S. | 登録日 | 2008-08-21 | 公開日 | 2008-09-30 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Kinase array design, back to front: Biaryl amides Bioorg.Med.Chem.Lett., 18, 2008
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4C66
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![BU of 4c66 by Molmil](/molmil-images/mine/4c66) | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | 分子名称: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, BROMODOMAIN-CONTAINING PROTEIN 4 | 著者 | Chung, C, Mirguet, O. | 登録日 | 2013-09-17 | 公開日 | 2013-10-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
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4C67
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![BU of 4c67 by Molmil](/molmil-images/mine/4c67) | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | 分子名称: | 1,2-ETHANEDIOL, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, BROMODOMAIN-CONTAINING PROTEIN 4 | 著者 | Chung, C, Mirguet, O. | 登録日 | 2013-09-17 | 公開日 | 2013-10-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
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3E93
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![BU of 3e93 by Molmil](/molmil-images/mine/3e93) | |
3D7Z
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![BU of 3d7z by Molmil](/molmil-images/mine/3d7z) | |
6YQS
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![BU of 6yqs by Molmil](/molmil-images/mine/6yqs) | BRD9 with methylpiperazinyl-benzyl-amino-dimethylpyridazinone | 分子名称: | 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one, Bromodomain-containing protein 9 | 著者 | Chung, C. | 登録日 | 2020-04-18 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.683 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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6YQR
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![BU of 6yqr by Molmil](/molmil-images/mine/6yqr) | BRD9 with Biphenyl-methylamino-dimethylpyridazinone | 分子名称: | 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one, Bromodomain-containing protein 9 | 著者 | Chung, C. | 登録日 | 2020-04-18 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.684 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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6YQZ
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![BU of 6yqz by Molmil](/molmil-images/mine/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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6YQW
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![BU of 6yqw by Molmil](/molmil-images/mine/6yqw) | BRD9 with 4-chloro-2-methyl-methylamino-pyridazinone | 分子名称: | 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one, Bromodomain-containing protein 9 | 著者 | Chung, C. | 登録日 | 2020-04-18 | 公開日 | 2021-04-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 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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6Z7G
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![BU of 6z7g by Molmil](/molmil-images/mine/6z7g) | |
6ZB0
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![BU of 6zb0 by Molmil](/molmil-images/mine/6zb0) | |
6ZB1
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![BU of 6zb1 by Molmil](/molmil-images/mine/6zb1) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK620 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide | 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 (1.6 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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6Z7F
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![BU of 6z7f by Molmil](/molmil-images/mine/6z7f) | |
6ZB3
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![BU of 6zb3 by Molmil](/molmil-images/mine/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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6ZB2
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![BU of 6zb2 by Molmil](/molmil-images/mine/6zb2) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK549 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ... | 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 (2.282 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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8B5G
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![BU of 8b5g by Molmil](/molmil-images/mine/8b5g) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one, ... | 著者 | Chung, C. | 登録日 | 2022-09-22 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.619 Å) | 主引用文献 | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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8B5I
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![BU of 8b5i by Molmil](/molmil-images/mine/8b5i) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one | 分子名称: | (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | 著者 | Chung, C. | 登録日 | 2022-09-22 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.604 Å) | 主引用文献 | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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8B5J
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![BU of 8b5j by Molmil](/molmil-images/mine/8b5j) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one | 分子名称: | (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | 著者 | Chung, C. | 登録日 | 2022-09-22 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.603 Å) | 主引用文献 | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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8B5H
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![BU of 8b5h by Molmil](/molmil-images/mine/8b5h) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-7-((R)-1,2-dihydroxyethyl)-1,3-dimethyl-5-(1-methyl-1H-pyrazol-4-yl)-1,3-dihydro-2H-benzo[d]azepin-2-one | 分子名称: | (1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ... | 著者 | Chung, C. | 登録日 | 2022-09-22 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.603 Å) | 主引用文献 | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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7QDL
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![BU of 7qdl by Molmil](/molmil-images/mine/7qdl) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with I-BET567 | 分子名称: | (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2021-11-27 | 公開日 | 2022-12-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate. J.Med.Chem., 65, 2022
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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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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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