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PDB: 325 件

5LTI
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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
5LTH
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BU of 5lth 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, PROTOPORPHYRIN IX CONTAINING FE, ...
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 (1.76 Å)
主引用文献An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
4GU5
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BU of 4gu5 by Molmil
Structure of Full-length Drosophila Cryptochrome
分子名称: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION
著者Zoltowski, B.D, Vaidya, A.T, Top, D, Widom, J, Young, M.W, Levy, C, Jones, A.R, Scrutton, N.S, Leys, D, Crane, B.R.
登録日2012-08-29
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Updated structure of Drosophila cryptochrome.
Nature, 495, 2013
5L53
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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
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
3K8D
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BU of 3k8d by Molmil
Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase in complex with CTP and 2-deoxy-Kdo
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, 3-deoxy-manno-octulosonate cytidylyltransferase, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Heyes, D.J, Levy, C.W, Lafite, P, Scrutton, N.S, Leys, D.
登録日2009-10-14
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based mechanism of CMP-2-keto-3-deoxymanno-octulonic acid synthetase: convergent evolution of a sugar-activating enzyme with DNA/RNA polymerases
J.Biol.Chem., 284, 2009
3KP1
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BU of 3kp1 by Molmil
Crystal structure of ornithine 4,5 aminomutase (Resting State)
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, D-ornithine aminomutase E component, ...
著者Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
登録日2009-11-14
公開日2010-01-26
最終更新日2019-10-30
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
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
4KVS
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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
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
5A3C
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BU of 5a3c by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with NAD
分子名称: 1,2-ETHANEDIOL, GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
登録日2015-05-28
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
3JSX
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BU of 3jsx by Molmil
X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1
分子名称: 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Dunstan, M.S, Levy, C, Leys, D.
登録日2009-09-11
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).
J.Med.Chem., 52, 2009
4J2W
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BU of 4j2w by Molmil
Crystal Structure of kynurenine 3-monooxygenase (KMO-396Prot-Se)
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 (2.6 Å)
主引用文献Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
4J31
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BU of 4j31 by Molmil
Crystal Structure of kynurenine 3-monooxygenase (KMO-396Prot)
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2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
5A3B
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BU of 5a3b by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, ALANINE, ...
著者Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
登録日2015-05-28
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
5A3A
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BU of 5a3a by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes (Apo form)
分子名称: 1,2-ETHANEDIOL, GLYCINE, SIR2 FAMILY PROTEIN, ...
著者Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
登録日2015-05-28
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
4J36
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BU of 4j36 by Molmil
Cocrystal Structure of kynurenine 3-monooxygenase in complex with UPF 648 inhibitor(KMO-394UPF)
分子名称: (1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid, 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 (2.13 Å)
主引用文献Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
4J33
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BU of 4j33 by Molmil
Crystal Structure of kynurenine 3-monooxygenase (KMO-394)
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 (1.82 Å)
主引用文献Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
3KP0
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BU of 3kp0 by Molmil
Crystal Structure of ORNITHINE 4,5 AMINOMUTASE in complex with 2,4-diaminobutyrate (DAB) (Aerobic)
分子名称: (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid, 5'-DEOXYADENOSINE, COBALAMIN, ...
著者Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
登録日2009-11-14
公開日2010-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
3KOY
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BU of 3koy by Molmil
Crystal Structure of ornithine 4,5 aminomutase in complex with ornithine (Aerobic)
分子名称: (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine, 5'-DEOXYADENOSINE, COBALAMIN, ...
著者Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
登録日2009-11-14
公開日2010-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
3KOW
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BU of 3kow by Molmil
Crystal Structure of ornithine 4,5 aminomutase backsoaked complex
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, D-ornithine aminomutase E component, ...
著者Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
登録日2009-11-14
公開日2010-01-26
最終更新日2012-10-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
3KOX
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BU of 3kox by Molmil
Crystal Structure of ornithine 4,5 aminomutase in complex with 2,4-diaminobutyrate (Anaerobic)
分子名称: (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid, 5'-DEOXYADENOSINE, COBALAMIN, ...
著者Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
登録日2009-11-14
公開日2010-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
3KOZ
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BU of 3koz by Molmil
Crystal Structure of ornithine 4,5 aminomutase in complex with ornithine (Anaerobic)
分子名称: (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine, 5'-DEOXYADENOSINE, COBALAMIN, ...
著者Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
登録日2009-11-14
公開日2010-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
5D6S
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BU of 5d6s by Molmil
Structure of epoxyqueuosine reductase from Streptococcus thermophilus.
分子名称: COBALAMIN, Epoxyqueuosine reductase, IRON/SULFUR CLUSTER
著者Payne, K.A.P, Fisher, K, Dunstan, M.S, Sjuts, H, Leys, D.
登録日2015-08-12
公開日2015-09-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification.
J.Biol.Chem., 290, 2015

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