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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7LB1
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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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7LAY
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![BU of 7lay by Molmil](/molmil-images/mine/7lay) | Crystal structure of the first bromodomain (BD1) of human BRD3 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 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 (1.45 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LB2
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![BU of 7lb2 by Molmil](/molmil-images/mine/7lb2) | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-589 | Descriptor: | (3R)-3-methyl-4-{6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine, 1,2-ETHANEDIOL, HEXANE-1,6-DIOL, ... | Authors: | Karim, M.R, Schonbrunn, E. | Deposit date: | 2021-01-07 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-589 To Be Published
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7LEJ
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![BU of 7lej by Molmil](/molmil-images/mine/7lej) | Crystal structure of the second bromodomain (BD2) of human BRDT bound to Volasertib | Descriptor: | Bromodomain testis-specific protein, N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2021-01-14 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LEL
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7LAK
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![BU of 7lak by Molmil](/molmil-images/mine/7lak) | Crystal structure of the first bromodomain (BD1) of human BRD2 bound to volasertib | Descriptor: | Bromodomain-containing protein 2, N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide | Authors: | Karim, M.R, Bikowitz, M, Chan, A, Schonbrunn, E. | Deposit date: | 2021-01-06 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.831 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LEM
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![BU of 7lem by Molmil](/molmil-images/mine/7lem) | Crystal structure of the first bromodomain (BD1) of human BRDT bound to LRRK2-IN-1 | Descriptor: | 1,2-ETHANEDIOL, 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 testis-specific protein | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2021-01-14 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LEK
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![BU of 7lek by Molmil](/molmil-images/mine/7lek) | Crystal structure of the second bromodomain (BD2) of human BRDT 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 testis-specific protein, ... | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2021-01-14 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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4E7D
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4E7G
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![BU of 4e7g by Molmil](/molmil-images/mine/4e7g) | |
7LAJ
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![BU of 7laj by Molmil](/molmil-images/mine/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
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![BU of 7lau by Molmil](/molmil-images/mine/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
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![BU of 7lai by Molmil](/molmil-images/mine/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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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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7LL4
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7LB3
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![BU of 7lb3 by Molmil](/molmil-images/mine/7lb3) | |
7LL5
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![BU of 7ll5 by Molmil](/molmil-images/mine/7ll5) | |
4E7F
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![BU of 4e7f by Molmil](/molmil-images/mine/4e7f) | E. cloacae C115D MurA in complex with UDP | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | Authors: | Zhu, J.-Y, Betzi, S, Yang, Y, Schonbrunn, E. | Deposit date: | 2012-03-16 | Release date: | 2013-03-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Open-close transition of MurA To be Published
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7LRK
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![BU of 7lrk by Molmil](/molmil-images/mine/7lrk) | Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-093 | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-02-16 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7LP0
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![BU of 7lp0 by Molmil](/molmil-images/mine/7lp0) | Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-077 | Descriptor: | 1,2-ETHANEDIOL, 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one, DIMETHYL SULFOXIDE, ... | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-02-11 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7LRO
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![BU of 7lro by Molmil](/molmil-images/mine/7lro) | Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105 | Descriptor: | 1,2-ETHANEDIOL, 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one, DIMETHYL SULFOXIDE, ... | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-02-17 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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