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3IA5
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BU of 3ia5 by Molmil
Moritella profunda dihydrofolate reductase (DHFR)
Descriptor: Dihydrofolate reductase, PHOSPHATE ION
Authors:Hay, S, Evans, R.M, Levy, C, Wang, X, Loveridge, E.J, Leys, D, Allemann, R.K, Scrutton, N.S.
Deposit date:2009-07-13
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Are the Catalytic Properties of Enzymes from Piezophilic Organisms Pressure Adapted?
Chembiochem, 10, 2009
3IW2
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BU of 3iw2 by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with econazole
Descriptor: 4-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
Authors:McLean, K.J, Levy, C, Munro, A.W, Leys, D.
Deposit date:2009-09-02
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite: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
Descriptor: Arylmalonate decarboxylase, benzylphosphonic acid
Authors:Okrasa, K, Levy, C, Leys, D, Micklefield, J.
Deposit date:2009-08-17
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.498 Å)
Cite: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
Descriptor: Cytochrome P450 CYP125, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:McLean, K.J, Levy, C, Munro, A.W, Leys, D.
Deposit date:2009-09-02
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
Authors:McLean, K.J, Levy, C, Munro, A.W, Leys, D.
Deposit date:2009-09-02
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
4J31
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BU of 4j31 by Molmil
Crystal Structure of kynurenine 3-monooxygenase (KMO-396Prot)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S.
Deposit date:2013-02-05
Release date:2013-04-10
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
4J2W
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BU of 4j2w by Molmil
Crystal Structure of kynurenine 3-monooxygenase (KMO-396Prot-Se)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S.
Deposit date:2013-02-05
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
4J36
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BU of 4j36 by Molmil
Cocrystal Structure of kynurenine 3-monooxygenase in complex with UPF 648 inhibitor(KMO-394UPF)
Descriptor: (1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S.
Deposit date:2013-02-05
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite: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)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S.
Deposit date:2013-02-05
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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)
Descriptor: (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid, 5'-DEOXYADENOSINE, COBALAMIN, ...
Authors:Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
Deposit date:2009-11-14
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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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BU of 3kft by Molmil
Crystal structure of Pentaerythritol Tetranitrate Reductase complex with 1,4,5,6-tetrahydro NADH
Descriptor: FLAVIN MONONUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Pudney, C.R, Levy, C.W, Leys, D, Scrutton, N.S.
Deposit date:2009-10-28
Release date:2010-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction.
J.Am.Chem.Soc., 131, 2009
3KX5
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BU of 3kx5 by Molmil
Crystal structure of Bacillus megaterium BM3 heme domain mutant F261E
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W.
Deposit date:2009-12-02
Release date:2010-05-19
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.686 Å)
Cite: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
3KOY
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BU of 3koy by Molmil
Crystal Structure of ornithine 4,5 aminomutase in complex with ornithine (Aerobic)
Descriptor: (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine, 5'-DEOXYADENOSINE, COBALAMIN, ...
Authors:Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
Deposit date:2009-11-14
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Bifunctional P-450/NADPH-P450 reductase, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W.
Deposit date:2009-12-02
Release date:2010-05-19
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.803 Å)
Cite: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)
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, D-ornithine aminomutase E component, ...
Authors:Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
Deposit date:2009-11-14
Release date:2010-01-26
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase
Authors:Adalbjornsson, B.V, Toogood, H.S, Leys, D, Scrutton, N.S.
Deposit date:2009-11-19
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, D-ornithine aminomutase E component, ...
Authors:Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
Deposit date:2009-11-14
Release date:2010-01-26
Last modified:2012-10-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W.
Deposit date:2009-12-02
Release date:2010-05-19
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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)
Descriptor: (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid, 5'-DEOXYADENOSINE, COBALAMIN, ...
Authors:Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
Deposit date:2009-11-14
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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)
Descriptor: (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine, 5'-DEOXYADENOSINE, COBALAMIN, ...
Authors:Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
Deposit date:2009-11-14
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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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BU of 3krz by Molmil
Crystal Structure of the Thermostable NADH4-bound old yellow enzyme from Thermoanaerobacter pseudethanolicus E39
Descriptor: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase
Authors:Adalbjornsson, B.V, Toogood, H.S, Leys, D, Scrutton, N.S.
Deposit date:2009-11-20
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biocatalysis with thermostable enzymes: structure and properties of a thermophilic 'ene'-reductase related to old yellow enzyme.
Chembiochem, 11, 2010
4JGI
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BU of 4jgi by Molmil
1.5 Angstrom crystal structure of a novel cobalamin-binding protein from Desulfitobacterium hafniense DCB-2
Descriptor: CO-METHYLCOBALAMIN, Putative uncharacterized protein
Authors:Sjuts, H, Dunstan, M.S, Fisher, K, Leys, D.
Deposit date:2013-03-01
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the cobalamin-binding protein of a putative O-demethylase from Desulfitobacterium hafniense DCB-2.
Acta Crystallogr.,Sect.D, 69, 2013
4LX6
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BU of 4lx6 by Molmil
X-ray crystal structure of the M6C" riboswitch aptamer bound to 2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one (PPAO)
Descriptor: 2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one, MAGNESIUM ION, Mutated adenine riboswitch aptamer
Authors:Dunstan, M.S, Leys, D.
Deposit date:2013-07-29
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species.
J.Am.Chem.Soc., 136, 2014
4LX5
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BU of 4lx5 by Molmil
X-ray crystal structure of the M6" riboswitch aptamer bound to pyrimido[4,5-d]pyrimidine-2,4-diamine (PPDA)
Descriptor: MAGNESIUM ION, Mutated adenine riboswitch aptamer, pyrimido[4,5-d]pyrimidine-2,4-diamine
Authors:Dunstan, M.S, Leys, D.
Deposit date:2013-07-29
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species.
J.Am.Chem.Soc., 136, 2014
5L53
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BU of 5l53 by Molmil
Menthone neomenthol reductase from Mentha piperita in complex with NADP
Descriptor: (-)-menthone:(+)-neomenthol reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S.
Deposit date:2016-05-27
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite: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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