7ZBV
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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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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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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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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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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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8FOW
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![BU of 8fow by Molmil](/molmil-images/mine/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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8FP5
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![BU of 8fp5 by Molmil](/molmil-images/mine/8fp5) | CDK2 liganded with ATP and Mg2+ | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ... | Authors: | Schonbrunn, E, Sun, L. | Deposit date: | 2023-01-04 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 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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8FP0
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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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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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8FV2
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![BU of 8fv2 by Molmil](/molmil-images/mine/8fv2) | Bromodomain of CBP liganded with CCS-1477 | Descriptor: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein, ... | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-18 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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8FVF
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![BU of 8fvf by Molmil](/molmil-images/mine/8fvf) | Bromodomain of EP300 liganded with CCS-1477 | Descriptor: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, Histone acetyltransferase p300, ... | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-18 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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8FUP
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![BU of 8fup by Molmil](/molmil-images/mine/8fup) | Bromodomain of CBP liganded with BMS-536924 and CCS-1477 | 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, (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, ... | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-18 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors To Be Published
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8FXE
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![BU of 8fxe by Molmil](/molmil-images/mine/8fxe) | Bromodomain of CBP liganded with iCBP6 | Descriptor: | (6S)-1-(3-tert-butylphenyl)-6-{(5P)-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 (1.55 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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8FVK
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![BU of 8fvk by Molmil](/molmil-images/mine/8fvk) | First bromodomain of BRD4 liganded with CCS-1477 | Descriptor: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-19 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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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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8FXN
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![BU of 8fxn by Molmil](/molmil-images/mine/8fxn) | Bromodomain of CBP liganded with iCBP7 | Descriptor: | 1,2-ETHANEDIOL, CREB-binding protein, tert-butyl {(1R,4s)-4-[(5M)-2-[(2S)-1-(3-tert-butylphenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-1-yl]cyclohexyl}carbamate | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-25 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition To be published
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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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7ZOC
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![BU of 7zoc by Molmil](/molmil-images/mine/7zoc) | |
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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8FVS
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![BU of 8fvs by Molmil](/molmil-images/mine/8fvs) | Bromodomain of CBP liganded with CCS1477int | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase, MAGNESIUM ION, ... | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-19 | Release date: | 2024-01-24 | Last modified: | 2024-05-08 | 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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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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