3V5V
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![BU of 3v5v by Molmil](/molmil-images/mine/3v5v) | UNLIGANDED E.CLOACAE C115D MURA | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | Deposit date: | 2011-12-16 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA). J.Biol.Chem., 287, 2012
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3UNK
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![BU of 3unk by Molmil](/molmil-images/mine/3unk) | CDK2 in complex with inhibitor YL5-083 | Descriptor: | 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | Authors: | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | Deposit date: | 2011-11-15 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UNZ
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![BU of 3unz by Molmil](/molmil-images/mine/3unz) | Aurora A in Complex with RPM1679 | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UOH
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![BU of 3uoh by Molmil](/molmil-images/mine/3uoh) | Aurora A in complex with RPM1722 | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8002 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UOK
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![BU of 3uok by Molmil](/molmil-images/mine/3uok) | Aurora A in complex with YL5-81-1 | Descriptor: | 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9506 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UOL
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![BU of 3uol by Molmil](/molmil-images/mine/3uol) | Aurora A in complex with SO2-162 | Descriptor: | 1,2-ETHANEDIOL, Aurora kinase A, N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UO4
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![BU of 3uo4 by Molmil](/molmil-images/mine/3uo4) | Aurora A in complex with RPM1680 | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3UP7
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![BU of 3up7 by Molmil](/molmil-images/mine/3up7) | Aurora A in complex with YL1-038-09 | Descriptor: | 2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-17 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors. J.Med.Chem., 55, 2012
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3V8S
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![BU of 3v8s by Molmil](/molmil-images/mine/3v8s) | |
6V1K
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![BU of 6v1k by Molmil](/molmil-images/mine/6v1k) | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to BI7273 | Descriptor: | 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 4 | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2019-11-20 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V0Q
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![BU of 6v0q by Molmil](/molmil-images/mine/6v0q) | Crystal structure of the bromodomain of human BRD7 bound to TG003 | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 7, ... | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | Deposit date: | 2019-11-19 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V0S
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![BU of 6v0s by Molmil](/molmil-images/mine/6v0s) | |
6V0X
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![BU of 6v0x by Molmil](/molmil-images/mine/6v0x) | Crystal structure of the bromodomain of human BRD9 bound to sunitinib | Descriptor: | Bromodomain-containing protein 9, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Karim, M.R, Chan, A, Zhu, J.Y, Schonbrunn, E. | Deposit date: | 2019-11-19 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V16
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![BU of 6v16 by Molmil](/molmil-images/mine/6v16) | Crystal structure of the bromodomain of human BRD7 bound to TP472 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 7, ... | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | Deposit date: | 2019-11-19 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V1H
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![BU of 6v1h by Molmil](/molmil-images/mine/6v1h) | Crystal structure of the bromodomain of human BRD7 bound to bromosporine | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 7, Bromosporine | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2019-11-20 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V1L
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![BU of 6v1l by Molmil](/molmil-images/mine/6v1l) | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to BI9564 | Descriptor: | 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 4 | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2019-11-20 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V1B
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![BU of 6v1b by Molmil](/molmil-images/mine/6v1b) | Crystal structure of the bromodomain of human BRD9 bound to I-BRD9 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 9, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | Deposit date: | 2019-11-20 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V14
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![BU of 6v14 by Molmil](/molmil-images/mine/6v14) | Crystal structure of the bromodomain of human BRD9 bound to TP472 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 9 | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | Deposit date: | 2019-11-19 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V1E
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![BU of 6v1e by Molmil](/molmil-images/mine/6v1e) | Crystal structure of the bromodomain of human BRD7 bound to BI7273 | Descriptor: | 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 7 | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2019-11-20 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V1U
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![BU of 6v1u by Molmil](/molmil-images/mine/6v1u) | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to TP-472 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 4 | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2019-11-21 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6VGL
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![BU of 6vgl by Molmil](/molmil-images/mine/6vgl) | JAK2 JH1 in complex with ruxolitinib | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-08 | Release date: | 2021-01-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6UZF
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![BU of 6uzf by Molmil](/molmil-images/mine/6uzf) | Crystal structure of the unliganded bromodomain of human BRD9 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 9, DIMETHYL SULFOXIDE, ... | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | Deposit date: | 2019-11-15 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V0U
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![BU of 6v0u by Molmil](/molmil-images/mine/6v0u) | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to bromosporine | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2019-11-19 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V1F
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![BU of 6v1f by Molmil](/molmil-images/mine/6v1f) | Crystal structure of the bromodomain of human BRD7 bound to BI9564 | Descriptor: | 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 7 | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2019-11-20 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6V17
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![BU of 6v17 by Molmil](/molmil-images/mine/6v17) | Crystal structure of the bromodomain of human BRD7 bound to I-BRD9 | Descriptor: | Bromodomain-containing protein 7, CHLORIDE ION, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | Deposit date: | 2019-11-19 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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