4YLK
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![BU of 4ylk by Molmil](/molmil-images/mine/4ylk) | Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s | Descriptor: | 1,2-ETHANEDIOL, 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | Authors: | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-05 | Release date: | 2015-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A. J.Med.Chem., 58, 2015
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3KQA
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![BU of 3kqa by Molmil](/molmil-images/mine/3kqa) | MurA dead-end complex with terreic acid | Descriptor: | (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione, CALCIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | Authors: | Schonbrunn, E. | Deposit date: | 2009-11-17 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) . Biochemistry, 49, 2010
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3KR6
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![BU of 3kr6 by Molmil](/molmil-images/mine/3kr6) | MurA dead-end complex with fosfomycin | Descriptor: | UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid | Authors: | Schonbrunn, E. | Deposit date: | 2009-11-17 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) . Biochemistry, 49, 2010
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3KQJ
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![BU of 3kqj by Molmil](/molmil-images/mine/3kqj) | MurA binary complex with UDP-N-acetylglucosamine | Descriptor: | GLYCEROL, PHOSPHATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | Authors: | Schonbrunn, E. | Deposit date: | 2009-11-17 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Natural Product Antibiotic Terreic Acid is a Mechanism-Based Inhibitor of the Bacterial Enzyme MurA in vitro but not in vivo. To be Published
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3LTH
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![BU of 3lth by Molmil](/molmil-images/mine/3lth) | E. cloacae MurA dead-end complex with UNAG and fosfomycin | Descriptor: | UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid | Authors: | Schonbrunn, E. | Deposit date: | 2010-02-15 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) . Biochemistry, 49, 2010
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7L6D
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![BU of 7l6d by Molmil](/molmil-images/mine/7l6d) | Crystal structure of the second bromodomain (BD2) of human BRD2 bound to bromosporine | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, Bromosporine, ... | Authors: | Karim, M.R, Bikowitz, M.J, Chan, A, Schonbrunn, E. | Deposit date: | 2020-12-23 | Release date: | 2021-06-23 | 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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7L73
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![BU of 7l73 by Molmil](/molmil-images/mine/7l73) | Crystal structure of the first bromodomain (BD1) of human BRDT 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 testis-specific protein | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2020-12-25 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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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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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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5V67
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![BU of 5v67 by Molmil](/molmil-images/mine/5v67) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH Volasertib | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E. | Deposit date: | 2017-03-16 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 2021
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5VBR
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![BU of 5vbr by Molmil](/molmil-images/mine/5vbr) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH Volasertib | Descriptor: | 1,2-ETHANEDIOL, Bromodomain testis-specific protein, CHLORIDE ION, ... | Authors: | EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E. | Deposit date: | 2017-03-30 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 2021
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5VBO
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![BU of 5vbo by Molmil](/molmil-images/mine/5vbo) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 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-containing protein 4, ... | Authors: | ZHU, J.-Y, SCHONBRUNN, E. | Deposit date: | 2017-03-30 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 2021
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5VBP
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![BU of 5vbp by Molmil](/molmil-images/mine/5vbp) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH RO3280 | Descriptor: | 1,2-ETHANEDIOL, 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 4, ... | Authors: | EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E. | Deposit date: | 2017-03-30 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 2021
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5VBQ
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![BU of 5vbq by Molmil](/molmil-images/mine/5vbq) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH 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 testis-specific protein, ... | Authors: | EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E. | Deposit date: | 2017-03-30 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 2021
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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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![BU of 7lel by Molmil](/molmil-images/mine/7lel) | |
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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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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5NLA
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![BU of 5nla by Molmil](/molmil-images/mine/5nla) | |
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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