8PXM
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![BU of 8pxm by Molmil](/molmil-images/mine/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
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![BU of 8pxn by Molmil](/molmil-images/mine/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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6S57
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![BU of 6s57 by Molmil](/molmil-images/mine/6s57) | |
6S55
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6S56
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![BU of 6s56 by Molmil](/molmil-images/mine/6s56) | Crystal structure of human ATAD2 bromodomain in complex with N-(4-chloro-3-(N,N-dimethylsulfamoyl)phenyl)-2-(2,5-dioxo-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalen]-1-yl)acetamide | 分子名称: | 1,2-ETHANEDIOL, 2-[(4~{R})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{H}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{N}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide, ATPase family AAA domain-containing protein 2, ... | 著者 | Chung, C. | 登録日 | 2019-06-30 | 公開日 | 2019-08-21 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification. J.Med.Chem., 62, 2019
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5LJ0
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![BU of 5lj0 by Molmil](/molmil-images/mine/5lj0) | Crystal structure of human ATAD2 bromodomain in complex with 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one | 分子名称: | 1,2-ETHANEDIOL, 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one, ATPase family AAA domain-containing protein 2, ... | 著者 | Chung, C. | 登録日 | 2016-07-17 | 公開日 | 2016-08-31 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | A Chemical Probe for the ATAD2 Bromodomain. Angew.Chem.Int.Ed.Engl., 55, 2016
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6DML
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![BU of 6dml by Molmil](/molmil-images/mine/6dml) | A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4 | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, Bromodomain-containing protein 4 | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | 登録日 | 2018-06-05 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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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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4RVR
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![BU of 4rvr by Molmil](/molmil-images/mine/4rvr) | Crystal Structure of the bromodomain of human BAZ2B in complex WITH GSK2801 | 分子名称: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B | 著者 | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-11-27 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B. J.Med.Chem., 59, 2016
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9FBX
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9FBY
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6Z8P
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![BU of 6z8p by Molmil](/molmil-images/mine/6z8p) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK973 | 分子名称: | (2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide, 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ... | 著者 | Chung, C. | 登録日 | 2020-06-02 | 公開日 | 2020-10-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | GSK973 Is an Inhibitor of the Second Bromodomains (BD2s) of the Bromodomain and Extra-Terminal (BET) Family. Acs Med.Chem.Lett., 11, 2020
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6Z7L
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![BU of 6z7l by Molmil](/molmil-images/mine/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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7A9U
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![BU of 7a9u by Molmil](/molmil-images/mine/7a9u) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide | 分子名称: | 1,2-ETHANEDIOL, 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2020-09-02 | 公開日 | 2020-10-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.444 Å) | 主引用文献 | A Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands. Angew.Chem.Int.Ed.Engl., 59, 2020
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6ZB0
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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) | |
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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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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3IPH
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![BU of 3iph by Molmil](/molmil-images/mine/3iph) | Crystal structure of p38 in complex with a biphenylamide inhibitor | 分子名称: | 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ... | 著者 | Somers, D.O. | 登録日 | 2009-08-17 | 公開日 | 2009-11-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression. J.Med.Chem., 52, 2009
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4USD
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![BU of 4usd by Molmil](/molmil-images/mine/4usd) | Human STK10 (LOK) with SB-633825 | 分子名称: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | 著者 | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | 登録日 | 2014-07-07 | 公開日 | 2015-07-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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2ZB0
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![BU of 2zb0 by Molmil](/molmil-images/mine/2zb0) | Crystal structure of P38 in complex with biphenyl amide inhibitor | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 14, N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | 著者 | Somers, D.O. | 登録日 | 2007-10-13 | 公開日 | 2008-01-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode Bioorg.Med.Chem.Lett., 18, 2008
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3MPT
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![BU of 3mpt by Molmil](/molmil-images/mine/3mpt) | |
4USF
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![BU of 4usf by Molmil](/molmil-images/mine/4usf) | Human SLK with SB-440719 | 分子名称: | 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE | 著者 | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S. | 登録日 | 2014-07-07 | 公開日 | 2015-07-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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1RTL
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![BU of 1rtl by Molmil](/molmil-images/mine/1rtl) | CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN: NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND PYRROLIDINE-5,5-TRANSLACTAM INHIBITOR | 分子名称: | N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE, NS3 protease/helicase, NS4A COFACTOR, ... | 著者 | Skarzynski, T, Somers, D.O.N. | 登録日 | 2003-12-10 | 公開日 | 2004-12-14 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Pyrrolidine-5,5-trans-lactams. 4. Incorporation of a P3/P4 urea leads to potent intracellular inhibitors of hepatitis C virus NS3/4A protease Org.Lett., 5, 2003
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