7K3O
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7K6F
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![BU of 7k6f by Molmil](/molmil-images/mine/7k6f) | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | Deposit date: | 2020-09-20 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
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7K6H
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![BU of 7k6h by Molmil](/molmil-images/mine/7k6h) | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to XMD8-92 | Descriptor: | 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Karim, M.R, Zhu, J.Y, Schonbrunn, E. | Deposit date: | 2020-09-20 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7K42
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![BU of 7k42 by Molmil](/molmil-images/mine/7k42) | Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, SULFATE ION, ... | Authors: | Karim, M.R, Schonbrunn, E. | Deposit date: | 2020-09-14 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
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7K6G
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![BU of 7k6g by Molmil](/molmil-images/mine/7k6g) | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to ERK5-IN-1 | Descriptor: | 1,2-ETHANEDIOL, 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 4 | Authors: | Karim, M.R, Zhu, J.Y, Schonbrunn, E. | Deposit date: | 2020-09-20 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7KO0
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![BU of 7ko0 by Molmil](/molmil-images/mine/7ko0) | Crystal structure of the second bromodomain (BD2) of human BRD4 bound to SG3-179 | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | Authors: | Karim, M.R, Zhu, J.Y, Schonbrunn, E. | Deposit date: | 2020-11-06 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7L72
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![BU of 7l72 by Molmil](/molmil-images/mine/7l72) | Crystal structure of the second bromodomain (BD2) of human BRD3 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 3 | Authors: | Karim, M.R, Bikowitz, M, Schonbrunn, E. | Deposit date: | 2020-12-25 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 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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![BU of 7la9 by Molmil](/molmil-images/mine/7la9) | |
7LL4
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7L9M
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![BU of 7l9m by Molmil](/molmil-images/mine/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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7LL5
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![BU of 7ll5 by Molmil](/molmil-images/mine/7ll5) | |
7K6R
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![BU of 7k6r by Molmil](/molmil-images/mine/7k6r) | |
7K6S
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![BU of 7k6s by Molmil](/molmil-images/mine/7k6s) | Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 4 (SKT1174) | Descriptor: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2020-09-21 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development. Org.Biomol.Chem., 18, 2020
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7KDW
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7L9G
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![BU of 7l9g by Molmil](/molmil-images/mine/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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7L9L
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![BU of 7l9l by Molmil](/molmil-images/mine/7l9l) | Crystal structure of the second bromodomain (BD2) of human BRD3 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 3 | Authors: | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | Deposit date: | 2021-01-04 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7L9K
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![BU of 7l9k by Molmil](/molmil-images/mine/7l9k) | Crystal structure of the second bromodomain (BD2) of human BRD2 bound to LRRK2-IN-1 | Descriptor: | 1,4-BUTANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 2 | Authors: | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | Deposit date: | 2021-01-04 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LB4
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7L9J
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![BU of 7l9j by Molmil](/molmil-images/mine/7l9j) | Crystal structure of the second bromodomain (BD2) 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, CHLORIDE ION | Authors: | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | Deposit date: | 2021-01-04 | Release date: | 2021-07-07 | 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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7LAZ
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![BU of 7laz by Molmil](/molmil-images/mine/7laz) | Crystal structure of the first bromodomain (BD1) of human BRD3 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 3 | Authors: | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | Deposit date: | 2021-01-07 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LB0
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7LBT
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![BU of 7lbt by Molmil](/molmil-images/mine/7lbt) | Crystal structure of the second bromodomain (BD2) of human BRD3 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 3 | Authors: | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | Deposit date: | 2021-01-08 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LB1
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![BU of 7lb1 by Molmil](/molmil-images/mine/7lb1) | |
7LEL
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![BU of 7lel by Molmil](/molmil-images/mine/7lel) | |