8FXA
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![BU of 8fxa by Molmil](/molmil-images/mine/8fxa) | Bromodomain of CBP liganded with iCBP4 | Descriptor: | (6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-24 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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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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8G6T
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![BU of 8g6t by Molmil](/molmil-images/mine/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
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![BU of 8ga2 by Molmil](/molmil-images/mine/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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![BU of 6bnt by Molmil](/molmil-images/mine/6bnt) | |
5OBZ
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![BU of 5obz by Molmil](/molmil-images/mine/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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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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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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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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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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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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7ZBV
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![BU of 7zbv by Molmil](/molmil-images/mine/7zbv) | |
7Z5U
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![BU of 7z5u by Molmil](/molmil-images/mine/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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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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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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2QFU
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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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2GGA
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![BU of 2gga by Molmil](/molmil-images/mine/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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2GGD
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2GG6
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![BU of 2gg6 by Molmil](/molmil-images/mine/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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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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4GCJ
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![BU of 4gcj by Molmil](/molmil-images/mine/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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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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