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2IJ4
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BU of 2ij4 by Molmil
Structure of the A264K mutant of cytochrome P450 BM3
分子名称: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3
著者Toogood, H.S, Leys, D.
登録日2006-09-29
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007
2IJ5
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BU of 2ij5 by Molmil
Crystal structure of cytochrome P450 CYP121, P212121 space group
分子名称: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Roujeinikova, A, Leys, D.
登録日2006-09-29
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
J.Biol.Chem., 281, 2006
2IUP
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BU of 2iup by Molmil
CRYSTAL STRUCTURE OF DITHIONITE-REDUCED AROMATIC AMINE DEHYDROGENASE (AADH) FROM ALCALIGENES FAECALIS
分子名称: AROMATIC AMINE DEHYDROGENASE ALPHA SUBUNIT, AROMATIC AMINE DEHYDROGENASE BETA SUBUNIT
著者Roujeinikova, A, Scrutton, N, Leys, D.
登録日2006-06-07
公開日2006-09-20
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Atomic level insight into the oxidative half-reaction of aromatic amine dehydrogenase.
J. Biol. Chem., 281, 2006
2IJ3
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Structure of the A264H mutant of cytochrome P450 BM3
分子名称: Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE
著者Toogood, H.S, Leys, D.
登録日2006-09-29
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007
2IJ7
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BU of 2ij7 by Molmil
Structure of Mycobacterium tuberculosis CYP121 in complex with the antifungal drug fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE
著者Roujeinikova, A, Leys, D.
登録日2006-09-29
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
J.Biol.Chem., 281, 2006
2IJ2
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BU of 2ij2 by Molmil
Atomic structure of the heme domain of flavocytochrome P450-BM3
分子名称: Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE
著者Helen, H.S, Leys, D.
登録日2006-09-29
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007
3KX5
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BU of 3kx5 by Molmil
Crystal structure of Bacillus megaterium BM3 heme domain mutant F261E
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W.
登録日2009-12-02
公開日2010-05-19
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.686 Å)
主引用文献Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3.
Biochem.J., 427, 2010
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
3KFT
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Crystal structure of Pentaerythritol Tetranitrate Reductase complex with 1,4,5,6-tetrahydro NADH
分子名称: FLAVIN MONONUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pentaerythritol tetranitrate reductase
著者Pudney, C.R, Levy, C.W, Leys, D, Scrutton, N.S.
登録日2009-10-28
公開日2010-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction.
J.Am.Chem.Soc., 131, 2009
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
3KX3
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BU of 3kx3 by Molmil
Crystal structure of Bacillus megaterium BM3 heme domain mutant L86E
分子名称: Bifunctional P-450/NADPH-P450 reductase, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
著者Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W.
登録日2009-12-02
公開日2010-05-19
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3.
Biochem.J., 427, 2010
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
3KRU
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BU of 3kru by Molmil
Crystal Structure of the Thermostable Old Yellow Enzyme from Thermoanaerobacter pseudethanolicus E39
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase
著者Adalbjornsson, B.V, Toogood, H.S, Leys, D, Scrutton, N.S.
登録日2009-11-19
公開日2009-12-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Biocatalysis with thermostable enzymes: structure and properties of a thermophilic 'ene'-reductase related to old yellow enzyme.
Chembiochem, 11, 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
3KX4
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BU of 3kx4 by Molmil
Crystal structure of Bacillus megaterium BM3 heme domain mutant I401E
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W.
登録日2009-12-02
公開日2010-05-19
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3.
Biochem.J., 427, 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
3KRZ
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Crystal Structure of the Thermostable NADH4-bound old yellow enzyme from Thermoanaerobacter pseudethanolicus E39
分子名称: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase
著者Adalbjornsson, B.V, Toogood, H.S, Leys, D, Scrutton, N.S.
登録日2009-11-20
公開日2009-12-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biocatalysis with thermostable enzymes: structure and properties of a thermophilic 'ene'-reductase related to old yellow enzyme.
Chembiochem, 11, 2010
4DQL
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BU of 4dql by Molmil
Crystal structure of the FAD binding domain of cytochrome P450 BM3 in complex with NADP+
分子名称: Bifunctional P-450/NADPH-P450 reductase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者joyce, M.G, leys, D.
登録日2012-02-16
公開日2012-03-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The crystal structure of the FAD/NADPH-binding domain of flavocytochrome P450 BM3.
Febs J., 279, 2012
4DQK
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BU of 4dqk by Molmil
Crystal structure of the FAD binding domain of cytochrome P450 BM3
分子名称: Bifunctional P-450/NADPH-P450 reductase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Joyce, M.G, Leys, D.
登録日2012-02-16
公開日2012-03-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of the FAD/NADPH-binding domain of flavocytochrome P450 BM3.
Febs J., 279, 2012
4EP6
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Crystal structure of the XplA heme domain in complex with imidazole and PEG
分子名称: Cytochrome P450-like protein XplA, IMIDAZOLE, PENTAETHYLENE GLYCOL, ...
著者Bui, S.H, McLean, K.J, Cheesman, M.R, Bradley, J.M, Rigby, S.E.J, Leys, D, Munro, A.W.
登録日2012-04-17
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Unusual Spectroscopic and Ligand Binding Properties of the Cytochrome P450-Flavodoxin Fusion Enzyme XplA.
J.Biol.Chem., 287, 2012
4EPP
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BU of 4epp by Molmil
Canonical poly(ADP-ribose) glycohydrolase from Tetrahymena thermophila.
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Poly(ADP-ribose) glycohydrolase
著者Dunstan, M.S, Leys, D.
登録日2012-04-17
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and mechanism of a canonical poly(ADP-ribose) glycohydrolase.
Nat Commun, 3, 2012
4EPQ
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canonical poly(ADP-ribose) glycohydrolase RBPI inhibitor complex from Tetrahymena thermophila
分子名称: 3-{(5Z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, Poly(ADP-ribose) glycohydrolase
著者Dunstan, M.S, Leys, D.
登録日2012-04-17
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structure and mechanism of a canonical poly(ADP-ribose) glycohydrolase.
Nat Commun, 3, 2012
4G47
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Structure of cytochrome P450 CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)phenol
分子名称: 4-(1H-1,2,4-triazol-1-yl)phenol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C.
登録日2012-07-16
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
4G44
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Structure of P450 CYP121 in complex with lead compound MB286, 3-((1H-1,2,4-triazol-1-yl)methyl)aniline
分子名称: 3-(1H-1,2,4-triazol-1-ylmethyl)aniline, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C.
登録日2012-07-16
公開日2012-09-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012

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