5D3H
| First bromodomain of BRD4 bound to inhibitor XD29 | Descriptor: | Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide | Authors: | Wohlwend, D, Huegle, M, Weitzel, G. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5DFC
| Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound | Descriptor: | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 2, GLYCEROL, ... | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | Deposit date: | 2015-08-26 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition. J.Med.Chem., 59, 2016
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5DW1
| X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution | Descriptor: | 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, SODIUM ION | Authors: | White, A, Fontano, E, Suto, R.K. | Deposit date: | 2015-09-22 | Release date: | 2016-06-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | RVX-297- a novel BD2 selective inhibitor of BET bromodomains. Biochem.Biophys.Res.Commun., 477, 2016
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5E3G
| Crystal structure of the human BRPF1 bromodomain in complex with SEED8 | Descriptor: | 2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione, NITRATE ION, Peregrin | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2015-10-02 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016
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5E9Y
| Crystal Structure of BAZ2B bromodomain in complex with MPD | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Caflisch, A. | Deposit date: | 2015-10-15 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016
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2DWW
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2DVS
| Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide | Descriptor: | bromodomain-containing protein 2, histone H4 | Authors: | Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-08-01 | Release date: | 2007-08-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain. J.Biol.Chem., 285, 2010
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2DVV
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2DKW
| Solution structure of the bromodomain of human protein KIAA1240 | Descriptor: | hypothetical protein KIAA1240 | Authors: | Sano, R, Hayashi, F, Kurosaki, C, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-04-14 | Release date: | 2006-10-14 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the bromodomain of human protein KIAA1240 To be Published
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2DVR
| Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide | Descriptor: | bromodomain-containing protein 2, histone H4 | Authors: | Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-08-01 | Release date: | 2007-08-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain. J.Biol.Chem., 285, 2010
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2E7N
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2DVQ
| Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide | Descriptor: | Bromodomain-containing protein 2, histone H4 | Authors: | Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-08-01 | Release date: | 2007-08-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain. J.Biol.Chem., 285, 2010
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2D82
| Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association | Descriptor: | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE, CREB-binding protein | Authors: | Sachchidanand, Resnick-Silverman, L, Yan, S, Mujtaba, S, Liu, W.J, Zeng, L, Manfredi, J.J, Zhou, M.M. | Deposit date: | 2005-12-01 | Release date: | 2006-04-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Target structure-based discovery of small molecules that block human p53 and CREB binding protein association Chem.Biol., 13, 2006
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2E3K
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2E7O
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7LAJ
| Crystal structure of the first bromodomain (BD1) of human BRD2 bound to Ro3280 | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 2 | Authors: | Karim, M.R, Bikowitz, M, Chan, A, Schonbrunn, E. | Deposit date: | 2021-01-06 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LAH
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7LAU
| Crystal structure of the first bromodomain (BD1) of human BRD2 bound to ERK5-IN-1 | Descriptor: | 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 2 | Authors: | Karim, M.R, Bikowitz, M, Schonbrunn, E. | Deposit date: | 2021-01-06 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LAI
| Crystal structure of the first bromodomain (BD1) of human BRD2 bound to BI2536 | Descriptor: | 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, Bromodomain-containing protein 2 | Authors: | Karim, M.R, Bikowitz, M, Schonbrunn, E. | Deposit date: | 2021-01-06 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LHY
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7M16
| Triazole-based BET family bromodomain inhibitor bound to BRD4(D1) | Descriptor: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide, Bromodomain-containing protein 4 | Authors: | Johnson, J.A, Pomerantz, W. | Deposit date: | 2021-03-12 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Systematically Mitigating the p38alpha Activity of Triazole-based BET Inhibitors ACS Med. Chem. Lett., 10, 2019
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7L9G
| Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536 | Descriptor: | 1,2-ETHANEDIOL, 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, Bromodomain-containing protein 2, ... | Authors: | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | Deposit date: | 2021-01-04 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LA9
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7L9M
| Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with bivalent inhibitor GXH-II-083 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide) | Authors: | Karim, M.R, Schonbrunn, E. | Deposit date: | 2021-01-04 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity. J.Med.Chem., 65, 2022
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7LB3
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