7UGE
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![BU of 7uge by Molmil](/molmil-images/mine/7uge) | Bromodomain of CBP liganded with BMS-536924 | Descriptor: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Histone acetyltransferase | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2022-03-24 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors To Be Published
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7UGI
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![BU of 7ugi by Molmil](/molmil-images/mine/7ugi) | Bromodomain of EP300 liganded with BMS-536924 | Descriptor: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2022-03-24 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors To Be Published
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7UGL
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![BU of 7ugl by Molmil](/molmil-images/mine/7ugl) | Bromodomain of CBP liganded with BMS-536924 and SGC-CBP30 | Descriptor: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2022-03-24 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors To Be Published
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7UUU
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![BU of 7uuu by Molmil](/molmil-images/mine/7uuu) | First bromodomain of BRDT liganded with compound 2c | Descriptor: | 1,2-ETHANEDIOL, Bromodomain testis-specific protein, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | Authors: | Schonbrunn, E, Chan, A. | Deposit date: | 2022-04-29 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains. Arch Pharm, 355, 2022
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7UTY
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![BU of 7uty by Molmil](/molmil-images/mine/7uty) | First bromodomain of BRD4 liganded with compound 2c | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | Authors: | Schonbrunn, E, Chan, A. | Deposit date: | 2022-04-28 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains. Arch Pharm, 355, 2022
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8FXO
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![BU of 8fxo by Molmil](/molmil-images/mine/8fxo) | Bromodomain of CBP liganded with iCBP8 | Descriptor: | (6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, CREB-binding protein | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-25 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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7KPY
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![BU of 7kpy by Molmil](/molmil-images/mine/7kpy) | Crystal structure of CBP bromodomain liganded with UMB298 (compound 23) | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine, Histone acetyltransferase | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2020-11-12 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of Dimethylisoxazole-Attached Imidazo[1,2- a ]pyridines as Potent and Selective CBP/P300 Inhibitors. J.Med.Chem., 64, 2021
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7LH8
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![BU of 7lh8 by Molmil](/molmil-images/mine/7lh8) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR JJ-II-131 | Descriptor: | (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Schonbrunn, E, Chan, A. | Deposit date: | 2021-01-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dihydropyridine Lactam Analogs Targeting BET Bromodomains. Chemmedchem, 17, 2022
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1NAW
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![BU of 1naw by Molmil](/molmil-images/mine/1naw) | ENOLPYRUVYL TRANSFERASE | Descriptor: | CYCLOHEXYLAMMONIUM ION, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYL-TRANSFERASE | Authors: | Schoenbrunn, E, Sack, S, Eschenburg, S, Perrakis, A, Krekel, F, Amrhein, N, Mandelkow, E. | Deposit date: | 1996-07-23 | Release date: | 1997-07-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of UDP-N-acetylglucosamine enolpyruvyltransferase, the target of the antibiotic fosfomycin. Structure, 4, 1996
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2QFU
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![BU of 2qfu by Molmil](/molmil-images/mine/2qfu) | |
1EYN
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![BU of 1eyn by Molmil](/molmil-images/mine/1eyn) | Structure of mura liganded with the extrinsic fluorescence probe ANS | Descriptor: | 8-ANILINO-1-NAPHTHALENE SULFONATE, GLYCEROL, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE | Authors: | Schonbrunn, E, Eschenburg, S, Luger, K, Kabsch, W, Amrhein, N. | Deposit date: | 2000-05-07 | Release date: | 2000-06-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for the interaction of the fluorescence probe 8-anilino-1-naphthalene sulfonate (ANS) with the antibiotic target MurA. Proc.Natl.Acad.Sci.USA, 97, 2000
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3JZO
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![BU of 3jzo by Molmil](/molmil-images/mine/3jzo) | Human MDMX liganded with a 12mer peptide (pDI) | Descriptor: | POTASSIUM ION, Protein Mdm4, pDI peptide (12mer) | Authors: | Schonbrunn, E, Phan, J. | Deposit date: | 2009-09-23 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. J.Biol.Chem., 285, 2010
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3JZS
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![BU of 3jzs by Molmil](/molmil-images/mine/3jzs) | Human MDM2 liganded with a 12mer peptide inhibitor (pDIQ) | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, pDIQ peptide (12mer) | Authors: | Schonbrunn, E, Phan, J. | Deposit date: | 2009-09-24 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. J.Biol.Chem., 285, 2010
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3JZQ
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3JZP
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1DLG
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![BU of 1dlg by Molmil](/molmil-images/mine/1dlg) | CRYSTAL STRUCTURE OF THE C115S ENTEROBACTER CLOACAE MURA IN THE UN-LIGANDED STATE | Descriptor: | CYCLOHEXYLAMMONIUM ION, PHOSPHATE ION, UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE MURA | Authors: | Schonbrunn, E, Eschenburg, S, Krekel, F, Luger, K, Amrhein, N. | Deposit date: | 1999-12-09 | Release date: | 2000-04-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Role of the loop containing residue 115 in the induced-fit mechanism of the bacterial cell wall biosynthetic enzyme MurA. Biochemistry, 39, 2000
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2GG4
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![BU of 2gg4 by Molmil](/molmil-images/mine/2gg4) | CP4 EPSP synthase (unliganded) | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase | Authors: | Schonbrunn, E, Funke, T. | Deposit date: | 2006-03-23 | Release date: | 2006-08-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for the herbicide resistance of Roundup Ready crops. Proc.Natl.Acad.Sci.Usa, 103, 2006
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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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1G6T
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![BU of 1g6t by Molmil](/molmil-images/mine/1g6t) | STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE | Descriptor: | EPSP SYNTHASE, FORMIC ACID, PHOSPHATE ION, ... | Authors: | Schonbrunn, E, Eschenburg, S, Shuttleworth, W, Schloss, J.V, Amrhein, N, Evans, J.N.S, Kabsch, W. | Deposit date: | 2000-11-07 | Release date: | 2001-02-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Interaction of the herbicide glyphosate with its target enzyme 5-enolpyruvylshikimate 3-phosphate synthase in atomic detail. Proc.Natl.Acad.Sci.USA, 98, 2001
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1G6S
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![BU of 1g6s by Molmil](/molmil-images/mine/1g6s) | STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE AND GLYPHOSATE | Descriptor: | EPSP SYNTHASE, FORMIC ACID, GLYPHOSATE, ... | Authors: | Schonbrunn, E, Eschenburg, S, Shuttleworth, W, Schloss, J.V, Amrhein, N, Evans, J.N.S, Kabsch, W. | Deposit date: | 2000-11-07 | Release date: | 2001-02-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Interaction of the herbicide glyphosate with its target enzyme 5-enolpyruvylshikimate 3-phosphate synthase in atomic detail. Proc.Natl.Acad.Sci.USA, 98, 2001
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3JZR
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![BU of 3jzr by Molmil](/molmil-images/mine/3jzr) | |
2QFQ
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![BU of 2qfq by Molmil](/molmil-images/mine/2qfq) | E. coli EPSP synthase Pro101Leu liganded with S3P | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | Authors: | Schonbrunn, E, Healy-Fried, M.L. | Deposit date: | 2007-06-27 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase. J.Biol.Chem., 282, 2007
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2QFT
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2QFS
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![BU of 2qfs by Molmil](/molmil-images/mine/2qfs) | E.coli EPSP synthase Pro101Ser liganded with S3P | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | Authors: | Schonbrunn, E, Healy-Fried, M.L. | Deposit date: | 2007-06-28 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase. J.Biol.Chem., 282, 2007
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3FK0
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![BU of 3fk0 by Molmil](/molmil-images/mine/3fk0) | E. coli EPSP synthase (TIPS mutation) 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 (1.7 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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