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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8G6T
 | | Bromodomain of CBP liganded with inhibitor iCBP2 | | Descriptor: | (6S)-1-(3,4-dibromophenyl)-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, NICKEL (II) ION | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2023-02-15 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
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8GA2
 | | Bromodomain of CBP liganded with inhibitor iCBP5 | | Descriptor: | (6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2023-02-22 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
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6BNT
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5OBZ
 | | low resolution structure of the p34ct/p44ct minimal complex | | Descriptor: | Putative transcription factor, ZINC ION | | Authors: | Schoenwetter, E, Koelmel, W, Schmitt, D.R, Kuper, J, Kisker, C. | | Deposit date: | 2017-06-29 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | The intricate network between the p34 and p44 subunits is central to the activity of the transcription/DNA repair factor TFIIH.
Nucleic Acids Res., 45, 2017
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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
 | | 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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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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8FOW
 | | Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib | | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ... | | Authors: | Schonbrunn, E, Sun, L. | | Deposit date: | 2023-01-03 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
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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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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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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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7ZBV
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7Z5U
 | | Crystal structure of the peptidase domain of collagenase G from Clostridium histolyticum in complex with a hydroxamate-based inhibitor | | Descriptor: | (2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide, CALCIUM ION, Collagenase ColG, ... | | Authors: | Schoenauer, E, Brandstetter, H. | | Deposit date: | 2022-03-10 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases.
J.Med.Chem., 65, 2022
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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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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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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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2QFU
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2QFT
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2GGA
 | | CP4 EPSP synthase liganded with S3P and Glyphosate | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, GLYPHOSATE, SHIKIMATE-3-PHOSPHATE | | Authors: | Schonbrunn, E, Funke, T. | | Deposit date: | 2006-03-23 | | Release date: | 2006-08-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2GG6
 | | CP4 EPSP synthase liganded with S3P | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, SHIKIMATE-3-PHOSPHATE, SULFATE ION | | Authors: | Schonbrunn, E, Funke, T. | | Deposit date: | 2006-03-23 | | Release date: | 2006-08-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2GGD
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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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1E0D
 | | UDP-N-Acetylmuramoyl-L-Alanine:D-Glutamate Ligase | | Descriptor: | SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | Authors: | Fanchon, E, Bertrand, J, Chantalat, L, Dideberg, O. | | Deposit date: | 2000-03-24 | | Release date: | 2000-06-09 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | "Open" Structures of Murd: Domain Movements and Structural Similarities with Folylpolyglutamate Synthetase.
J.Mol.Biol., 301, 2000
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4GCJ
 | | CDK2 in complex with inhibitor RC-3-89 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2012-07-30 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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