1EYN
| Structure of mura liganded with the extrinsic fluorescence probe ANS | 分子名称: | 8-ANILINO-1-NAPHTHALENE SULFONATE, GLYCEROL, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE | 著者 | Schonbrunn, E, Eschenburg, S, Luger, K, Kabsch, W, Amrhein, N. | 登録日 | 2000-05-07 | 公開日 | 2000-06-09 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 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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1DLG
| CRYSTAL STRUCTURE OF THE C115S ENTEROBACTER CLOACAE MURA IN THE UN-LIGANDED STATE | 分子名称: | CYCLOHEXYLAMMONIUM ION, PHOSPHATE ION, UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE MURA | 著者 | Schonbrunn, E, Eschenburg, S, Krekel, F, Luger, K, Amrhein, N. | 登録日 | 1999-12-09 | 公開日 | 2000-04-12 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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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7UGF
| First bromodomain of BRD4 liganded with BMS-536924 | 分子名称: | (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, Bromodomain-containing protein 4 | 著者 | Schonbrunn, E, Bikowitz, M. | 登録日 | 2022-03-24 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural basis of CBP and EP300 interaction with kinase inhibitors To Be Published
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7UG1
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7UG5
| Second bromodomain of BRD3 liganded with BMS-536924 | 分子名称: | (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, Bromodomain-containing protein 3 | 著者 | Schonbrunn, E, Bikowitz, M. | 登録日 | 2022-03-23 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis of CBP and EP300 interaction with kinase inhibitors To Be Published
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7UGE
| Bromodomain of CBP liganded with BMS-536924 | 分子名称: | (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 | 著者 | Schonbrunn, E, Bikowitz, M. | 登録日 | 2022-03-24 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.004 Å) | 主引用文献 | Structural basis of CBP and EP300 interaction with kinase inhibitors To Be Published
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7UGI
| Bromodomain of EP300 liganded with BMS-536924 | 分子名称: | (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, ... | 著者 | Schonbrunn, E, Bikowitz, M. | 登録日 | 2022-03-24 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of CBP and EP300 interaction with kinase inhibitors To Be Published
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7UGL
| Bromodomain of CBP liganded with BMS-536924 and SGC-CBP30 | 分子名称: | (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 | 著者 | Schonbrunn, E, Bikowitz, M. | 登録日 | 2022-03-24 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural basis of CBP and EP300 interaction with kinase inhibitors To Be Published
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8FUP
| Bromodomain of CBP liganded with BMS-536924 and CCS-1477 | 分子名称: | (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, ... | 著者 | Schonbrunn, E, Bikowitz, M. | 登録日 | 2023-01-18 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural basis of CBP and EP300 interaction with kinase inhibitors To Be Published
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8FXN
| Bromodomain of CBP liganded with iCBP7 | 分子名称: | 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 | 著者 | Schonbrunn, E, Bikowitz, M. | 登録日 | 2023-01-25 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition To be published
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1G6T
| STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE | 分子名称: | EPSP SYNTHASE, FORMIC ACID, PHOSPHATE ION, ... | 著者 | Schonbrunn, E, Eschenburg, S, Shuttleworth, W, Schloss, J.V, Amrhein, N, Evans, J.N.S, Kabsch, W. | 登録日 | 2000-11-07 | 公開日 | 2001-02-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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
| STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE AND GLYPHOSATE | 分子名称: | EPSP SYNTHASE, FORMIC ACID, GLYPHOSATE, ... | 著者 | Schonbrunn, E, Eschenburg, S, Shuttleworth, W, Schloss, J.V, Amrhein, N, Evans, J.N.S, Kabsch, W. | 登録日 | 2000-11-07 | 公開日 | 2001-02-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 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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8GA2
| Bromodomain of CBP liganded with inhibitor iCBP5 | 分子名称: | (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 | 著者 | Schonbrunn, E, Bikowitz, M. | 登録日 | 2023-02-22 | 公開日 | 2024-02-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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3JZP
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8SV9
| Crystal structure of ULK1 kinase domain with inhibitor MR-2088 | 分子名称: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide, 1,2-ETHANEDIOL, SULFATE ION, ... | 著者 | Schonbrunn, E, Sun, L. | 登録日 | 2023-05-15 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Development of potent and selective ULK1/2 inhibitors based on 7-azaindole scaffold with favorable in vivo properties. Eur.J.Med.Chem., 266, 2024
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3LTH
| E. cloacae MurA dead-end complex with UNAG and fosfomycin | 分子名称: | UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid | 著者 | Schonbrunn, E. | 登録日 | 2010-02-15 | 公開日 | 2010-05-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | 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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3KQA
| MurA dead-end complex with terreic acid | 分子名称: | (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione, CALCIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | 著者 | Schonbrunn, E. | 登録日 | 2009-11-17 | 公開日 | 2010-04-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | 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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3KR6
| MurA dead-end complex with fosfomycin | 分子名称: | UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid | 著者 | Schonbrunn, E. | 登録日 | 2009-11-17 | 公開日 | 2010-04-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 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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3KQJ
| MurA binary complex with UDP-N-acetylglucosamine | 分子名称: | GLYCEROL, PHOSPHATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | 著者 | Schonbrunn, E. | 登録日 | 2009-11-17 | 公開日 | 2010-04-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Natural Product Antibiotic Terreic Acid is a Mechanism-Based Inhibitor of the Bacterial Enzyme MurA in vitro but not in vivo. To be Published
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3R9O
| CDK2 in complex with inhibitor RC-2-143 | 分子名称: | 4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-03-25 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3RK9
| CDK2 in complex with inhibitor RC-2-74 | 分子名称: | Cyclin-dependent kinase 2, [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-04-17 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3R8L
| CDK2 in complex with inhibitor L3-4 | 分子名称: | (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2 | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-03-24 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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3R8P
| CDK2 in complex with inhibitor NSK-MC1-6 | 分子名称: | (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2 | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-03-24 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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3RMF
| CDK2 in complex with inhibitor RC-2-33 | 分子名称: | 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-04-20 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3R9N
| CDK2 in complex with inhibitor RC-2-21 | 分子名称: | Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-03-25 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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