3FK1
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![BU of 3fk1 by Molmil](/molmil-images/mine/3fk1) | E. coli EPSP synthase (TIPS mutation) liganded with S3P and glyphosate | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, N-(phosphonomethyl)glycine, ... | Authors: | Schonbrunn, E. | Deposit date: | 2008-12-15 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli. J.Biol.Chem., 284, 2009
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3FJX
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![BU of 3fjx by Molmil](/molmil-images/mine/3fjx) | E. coli EPSP synthase (T97I) liganded with S3P | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | Authors: | Schonbrunn, E. | Deposit date: | 2008-12-15 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli. J.Biol.Chem., 284, 2009
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3FJZ
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![BU of 3fjz by Molmil](/molmil-images/mine/3fjz) | E. coli EPSP synthase (T97I) liganded with S3P and glyphosate | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, N-(phosphonomethyl)glycine, ... | Authors: | Schonbrunn, E. | Deposit date: | 2008-12-15 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli. J.Biol.Chem., 284, 2009
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3ELL
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![BU of 3ell by Molmil](/molmil-images/mine/3ell) | Structure of the hemophore from Pseudomonas aeruginosa (HasAp) | Descriptor: | HasAp (Heme acquisition protein HasAp), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Schonbrunn, E, Rivera, M. | Deposit date: | 2008-09-22 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural characterization of the hemophore HasAp from Pseudomonas aeruginosa: NMR spectroscopy reveals protein-protein interactions between Holo-HasAp and hemoglobin. Biochemistry, 48, 2009
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4EZ3
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![BU of 4ez3 by Molmil](/molmil-images/mine/4ez3) | CDK2 in complex with NSC 134199 | Descriptor: | 1,2-ETHANEDIOL, 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Alam, R, Martin, M, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-05-02 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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4O72
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![BU of 4o72 by Molmil](/molmil-images/mine/4o72) | Crystal structure of the first bromodomain of human BRD4 in complex with NU7441 | Descriptor: | 1,2-ETHANEDIOL, 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, Bromodomain-containing protein 4, ... | Authors: | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | Deposit date: | 2013-12-24 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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7MR5
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![BU of 7mr5 by Molmil](/molmil-images/mine/7mr5) | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-052 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-05-07 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 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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4O70
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![BU of 4o70 by Molmil](/molmil-images/mine/4o70) | Crystal structure of the first bromodomain of human BRD4 in complex with DINACICLIB | Descriptor: | 1,2-ETHANEDIOL, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Bromodomain-containing protein 4 | Authors: | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | Deposit date: | 2013-12-24 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O7F
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![BU of 4o7f by Molmil](/molmil-images/mine/4o7f) | Crystal structure of the first bromodomain of human BRD4 in complex with SB-251527 | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine, Bromodomain-containing protein 4, ... | Authors: | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | Deposit date: | 2013-12-24 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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7MR7
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![BU of 7mr7 by Molmil](/molmil-images/mine/7mr7) | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain-containing protein 4 | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-05-07 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 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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7MR8
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![BU of 7mr8 by Molmil](/molmil-images/mine/7mr8) | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-076 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-05-07 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-076 To Be Published
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7MRD
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![BU of 7mrd by Molmil](/molmil-images/mine/7mrd) | Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-082 | Descriptor: | Bromodomain testis-specific protein, N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-05-07 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.39 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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7MRC
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![BU of 7mrc by Molmil](/molmil-images/mine/7mrc) | |
7MR6
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![BU of 7mr6 by Molmil](/molmil-images/mine/7mr6) | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-082 | Descriptor: | Bromodomain-containing protein 4, N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-05-07 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 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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4O7A
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![BU of 4o7a by Molmil](/molmil-images/mine/4o7a) | Crystal structure of the first bromodomain of human BRD4 in complex with SB-409514 | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione, Bromodomain-containing protein 4 | Authors: | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | Deposit date: | 2013-12-24 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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7MR9
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![BU of 7mr9 by Molmil](/molmil-images/mine/7mr9) | |
7MRH
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![BU of 7mrh by Molmil](/molmil-images/mine/7mrh) | |
7MRG
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![BU of 7mrg by Molmil](/molmil-images/mine/7mrg) | |
4O7E
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![BU of 4o7e by Molmil](/molmil-images/mine/4o7e) | Crystal structure of the first bromodomain of human BRD4 in complex with SB-610251-B | Descriptor: | 1,2-ETHANEDIOL, 3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol, Bromodomain-containing protein 4 | Authors: | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | Deposit date: | 2013-12-24 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O74
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![BU of 4o74 by Molmil](/molmil-images/mine/4o74) | Crystal structure of the first bromodomain of human BRD4 in complex with BI 2536 | 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 4, ... | Authors: | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | Deposit date: | 2013-12-24 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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3UNJ
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![BU of 3unj by Molmil](/molmil-images/mine/3unj) | CDK2 in complex with inhibitor YL1-038-31 | Descriptor: | 4-{[4-(phenylamino)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 (1.9001 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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4EZ7
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![BU of 4ez7 by Molmil](/molmil-images/mine/4ez7) | CDK2 in complex with staurosporine and 2 molecules of 8-anilino-1-naphthalene sulfonic acid | Descriptor: | 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cyclin-dependent kinase 2, ... | Authors: | Alam, R, Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-05-02 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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7MRA
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![BU of 7mra by Molmil](/molmil-images/mine/7mra) | |
7MRB
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![BU of 7mrb by Molmil](/molmil-images/mine/7mrb) | |
4O7C
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![BU of 4o7c by Molmil](/molmil-images/mine/4o7c) | Crystal structure of the first bromodomain of human BRD4 in complex with SB-614067-R | Descriptor: | 1,2-ETHANEDIOL, 4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine, Bromodomain-containing protein 4 | Authors: | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | Deposit date: | 2013-12-24 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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