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3GSI
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BU of 3gsi by Molmil
Crystal structure of D552A dimethylglycine oxidase mutant of Arthrobacter globiformis in complex with tetrahydrofolate
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Tralau, T, Lafite, P, Levy, C, Combe, J.P, Scrutton, N.S, Leys, D.
登録日2009-03-27
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An internal reaction chamber in dimethylglycine oxidase provides efficient protection from exposure to toxic formaldehyde.
J.Biol.Chem., 284, 2009
3GX9
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BU of 3gx9 by Molmil
Structure of morphinone reductase N189A mutant in complex with tetrahydroNAD
分子名称: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase
著者Lafite, P, Scrutton, N.S, Leys, D.
登録日2009-04-02
公開日2009-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Parallel Pathways and Free-Energy Landscapes for Enzymatic Hydride Transfer Probed by Hydrostatic Pressure
Chembiochem, 10, 2009
3IA5
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BU of 3ia5 by Molmil
Moritella profunda dihydrofolate reductase (DHFR)
分子名称: Dihydrofolate reductase, PHOSPHATE ION
著者Hay, S, Evans, R.M, Levy, C, Wang, X, Loveridge, E.J, Leys, D, Allemann, R.K, Scrutton, N.S.
登録日2009-07-13
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Are the Catalytic Properties of Enzymes from Piezophilic Organisms Pressure Adapted?
Chembiochem, 10, 2009
3IVY
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BU of 3ivy by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, p212121 crystal form
分子名称: Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
著者McLean, K.J, Levy, C, Munro, A.W, Leys, D.
登録日2009-09-02
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.352 Å)
主引用文献The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3IW2
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BU of 3iw2 by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with econazole
分子名称: 4-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
著者McLean, K.J, Levy, C, Munro, A.W, Leys, D.
登録日2009-09-02
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3IP8
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BU of 3ip8 by Molmil
Crystal structure of arylmalonate decarboxylase (AMDase) from Bordatella bronchiseptic in complex with benzylphosphonate
分子名称: Arylmalonate decarboxylase, benzylphosphonic acid
著者Okrasa, K, Levy, C, Leys, D, Micklefield, J.
登録日2009-08-17
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Structure-Guided Directed Evolution of Alkenyl and Arylmalonate Decarboxylases.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IW0
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BU of 3iw0 by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, C2221 crystal form
分子名称: Cytochrome P450 CYP125, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者McLean, K.J, Levy, C, Munro, A.W, Leys, D.
登録日2009-09-02
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3IW1
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BU of 3iw1 by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with androstenedione
分子名称: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
著者McLean, K.J, Levy, C, Munro, A.W, Leys, D.
登録日2009-09-02
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
4KVQ
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BU of 4kvq by Molmil
Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase wild type with palmitic acid bound
分子名称: Aldehyde decarbonylase, FE (III) ION, PALMITIC ACID
著者Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S.
登録日2013-05-23
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.842 Å)
主引用文献Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
4KVS
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BU of 4kvs by Molmil
Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant A134F)
分子名称: Aldehyde decarbonylase, FE (III) ION, HEXANOIC ACID
著者Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S.
登録日2013-05-23
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
4KVR
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BU of 4kvr by Molmil
Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant V41Y)
分子名称: Aldehyde decarbonylase, FE (III) ION, HEXANOIC ACID
著者Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S.
登録日2013-05-23
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
5L53
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BU of 5l53 by Molmil
Menthone neomenthol reductase from Mentha piperita in complex with NADP
分子名称: (-)-menthone:(+)-neomenthol reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S.
登録日2016-05-27
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 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
5L4S
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BU of 5l4s by Molmil
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
5L51
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BU of 5l51 by Molmil
Menthone neomenthol reductase from Mentha piperita
分子名称: (-)-menthone:(+)-neomenthol reductase
著者Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S.
登録日2016-05-27
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.66 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
5LIE
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BU of 5lie by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with imidazole
分子名称: IMIDAZOLE, 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 (1.799 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
5LI7
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BU of 5li7 by Molmil
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
5LDG
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BU of 5ldg by Molmil
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
5LCX
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BU of 5lcx by Molmil
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
5LI8
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BU of 5li8 by Molmil
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
5LTE
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BU of 5lte by Molmil
Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM)
分子名称: 2-ETHOXYETHANOL, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
著者Ortmayer, M, Leys, D.
登録日2016-09-06
公開日2016-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
5M0O
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BU of 5m0o by Molmil
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
5M1E
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BU of 5m1e by Molmil
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
5M0P
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BU of 5m0p by Molmil
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
5LTI
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BU of 5lti by Molmil
Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM) in complex with the dimethylamine substrate
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYLAMINE, NITRIC OXIDE, ...
著者Ortmayer, M, Leys, D.
登録日2016-09-06
公開日2016-11-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
5LI6
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BU of 5li6 by Molmil
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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