5L4S
| Isopiperitenone reductase from Mentha piperita in complex with NADP and beta-Cyclocitral | 分子名称: | (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, beta-cyclocitral | 著者 | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | 登録日 | 2016-05-26 | 公開日 | 2016-08-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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5L51
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5LIE
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5LI7
| Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea | 分子名称: | 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | 著者 | Levy, C, Munro, A.W, Leys, D. | 登録日 | 2016-07-14 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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5LDG
| Isopiperitenone reductase from Mentha piperita in complex with Isopiperitenone and NADP | 分子名称: | (-)-Isopiperitenone, (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | 登録日 | 2016-06-26 | 公開日 | 2016-08-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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5LCX
| Isopiperitenone reductase from Mentha piperita in complex with NADP | 分子名称: | (-)-isopiperitenone reductase, (4S)-2-METHYL-2,4-PENTANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | 登録日 | 2016-06-22 | 公開日 | 2016-08-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.709 Å) | 主引用文献 | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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5LI8
| Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole | 分子名称: | 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | 著者 | Levy, C, Munro, A.W, Leys, D. | 登録日 | 2016-07-14 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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5LTE
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5M0O
| Crystal structure of cytochrome P450 OleT H85Q in complex with arachidonic acid | 分子名称: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | 登録日 | 2016-10-05 | 公開日 | 2017-01-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE. J. Biol. Chem., 292, 2017
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5M1E
| Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor | 分子名称: | (16~{R})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ... | 著者 | Marshall, S.A, Leys, D. | 登録日 | 2016-10-07 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis. J. Biol. Chem., 292, 2017
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5M0P
| Crystal structure of cytochrome P450 OleT F79A in complex with arachidonic acid | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, Terminal olefin-forming fatty acid decarboxylase, ... | 著者 | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | 登録日 | 2016-10-05 | 公開日 | 2017-01-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE. J. Biol. Chem., 292, 2017
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5LTI
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5LI6
| Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126, ~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide | 著者 | Levy, C, Munro, A.W, Leys, D. | 登録日 | 2016-07-14 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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5M0N
| Crystal structure of cytochrome P450 OleT in complex with formate | 分子名称: | FORMIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | 登録日 | 2016-10-05 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE. J. Biol. Chem., 292, 2017
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5M1D
| Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ... | 著者 | Marshall, S.A, Leys, D. | 登録日 | 2016-10-07 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis. J. Biol. Chem., 292, 2017
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5LTH
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5LTM
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5M1C
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5M1B
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4J34
| Crystal Structure of kynurenine 3-monooxygenase - truncated at position 394 plus HIS tag cleaved. | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | 著者 | Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S. | 登録日 | 2013-02-05 | 公開日 | 2013-04-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Structural basis of kynurenine 3-monooxygenase inhibition. Nature, 496, 2013
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4L2H
| Structure of a catalytically inactive PARG in complex with a poly-ADP-ribose fragment | 分子名称: | Poly(ADP-ribose) glycohydrolase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 著者 | Brassington, A, Dunstan, M.S, Leys, D. | 登録日 | 2013-06-04 | 公開日 | 2013-07-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Visualization of poly(ADP-ribose) bound to PARG reveals inherent balance between exo- and endo-glycohydrolase activities. Nat Commun, 4, 2013
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7QJL
| Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor | 分子名称: | ACETATE ION, BROMIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Snee, M, Levy, C, Katariya, M. | 登録日 | 2021-12-16 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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6HX9
| Putrescine transaminase from Pseudomonas putida | 分子名称: | Aspartate aminotransferase family protein | 著者 | Gahloth, D. | 登録日 | 2018-10-16 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Characterization of a Putrescine Transaminase FromPseudomonas putidaand its Application to the Synthesis of Benzylamine Derivatives. Front Bioeng Biotechnol, 6, 2018
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7NQM
| Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, CHLORIDE ION, ... | 著者 | Selvam, I.R. | 登録日 | 2021-03-01 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
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7NQN
| Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | 著者 | Selvam, I.R. | 登録日 | 2021-03-01 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
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