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3KE9
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BU of 3ke9 by Molmil
Crystal structure of IspH:Intermediate-complex
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Groll, M, Graewert, T, Span, I, Eisenreich, W, Bacher, A.
登録日2009-10-24
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KEL
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BU of 3kel by Molmil
Crystal Structure of IspH:PP complex
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, PYROPHOSPHATE 2-
著者Groll, M, Graewert, T, Span, I, Eisenreich, W, Bacher, A.
登録日2009-10-26
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KE8
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BU of 3ke8 by Molmil
Crystal structure of IspH:HMBPP-complex
分子名称: 4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Groll, M, Graewert, T, Span, I, Eisenreich, W, Bacher, A.
登録日2009-10-24
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
1OJ4
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BU of 1oj4 by Molmil
Ternary complex of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase
分子名称: 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ...
著者Miallau, L, Alphey, M.S, Hunter, W.N.
登録日2003-06-30
公開日2003-07-31
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Biosynthesis of Isoprenoids: Crystal Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase
Proc.Natl.Acad.Sci.USA, 100, 2003
5ICP
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BU of 5icp by Molmil
CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(5-methyl-imidazo[5,1-b][1,3,4]thiadiazol-2-yl)-methanone
分子名称: 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K.
登録日2016-02-23
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
5IDN
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BU of 5idn by Molmil
CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-methanone
分子名称: 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K.
登録日2016-02-24
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
5IDP
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BU of 5idp by Molmil
CDK8-CYCC IN COMPLEX WITH (3-Amino-1H-indazol-5-yl)-[(S)-2-(4-fluoro-phenyl)-piperidin-1-yl]-methanone
分子名称: (3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K.
登録日2016-02-24
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
5I5Z
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BU of 5i5z by Molmil
CDK8-CYCC IN COMPLEX WITH 8-(1-Methyl-2,2-dioxo-2,3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-[1,6]naphthyridine-2-carboxylic acid methylamide
分子名称: Cyclin-C, Cyclin-dependent kinase 8, FORMIC ACID, ...
著者Musil, D, Blagg, J, Mallinger, A.
登録日2016-02-15
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19.
Acs Med.Chem.Lett., 7, 2016
2V8P
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BU of 2v8p by Molmil
IspE in complex with ADP and CDP
分子名称: 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Sgraja, T, Alphey, M.S, Hunter, W.N.
登録日2007-08-13
公開日2007-08-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery.
FEBS J., 275, 2008
2V2Z
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BU of 2v2z by Molmil
IspE in complex with ADP and CDPME
分子名称: 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Sgraja, T, Alphey, M.S, Hunter, W.N.
登録日2007-06-08
公開日2007-06-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery.
FEBS J., 275, 2008
2V34
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BU of 2v34 by Molmil
IspE in complex with cytidine and ligand
分子名称: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ...
著者Sgraja, T, Alphey, M.S, Hunter, W.N.
登録日2007-06-11
公開日2007-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery.
FEBS J., 275, 2008
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