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2AGZ
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BU of 2agz by Molmil
Crystal structure of the carbinolamine intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. F222 form
Descriptor: (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL, Aromatic amine dehydrogenase, ZINC ION
Authors:Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D.
Deposit date:2005-07-27
Release date:2006-04-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
2AGX
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BU of 2agx by Molmil
Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. P212121 form
Descriptor: 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase
Authors:Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D.
Deposit date:2005-07-27
Release date:2006-04-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
2AGW
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BU of 2agw by Molmil
Crystal structure of tryptamine-reduced aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis in complex with tryptamine
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, Aromatic amine dehydrogenase
Authors:Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D.
Deposit date:2005-07-27
Release date:2006-04-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
2AH0
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BU of 2ah0 by Molmil
Crystal structure of the carbinolamine intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. Monoclinic form
Descriptor: (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL, 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase
Authors:Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D.
Deposit date:2005-07-27
Release date:2006-04-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
2AGL
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BU of 2agl by Molmil
Crystal structure of the phenylhydrazine adduct of aromatic amine dehydrogenase from Alcaligenes faecalis
Descriptor: 1-PHENYLHYDRAZINE, Aromatic amine dehydrogenase
Authors:Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D.
Deposit date:2005-07-27
Release date:2006-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
2AGY
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BU of 2agy by Molmil
Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. Monoclinic form
Descriptor: 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase
Authors:Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D.
Deposit date:2005-07-27
Release date:2006-04-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
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:2024-05-22
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
4J34
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BU of 4j34 by Molmil
Crystal Structure of kynurenine 3-monooxygenase - truncated at position 394 plus HIS tag cleaved.
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 (2.03 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
4KVR
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BU of 4kvr by Molmil
Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant V41Y)
Descriptor: Aldehyde decarbonylase, FE (III) ION, HEXANOIC ACID
Authors:Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S.
Deposit date:2013-05-23
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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)
Descriptor: Aldehyde decarbonylase, FE (III) ION, HEXANOIC ACID
Authors:Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S.
Deposit date:2013-05-23
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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
Descriptor: Aldehyde decarbonylase, FE (III) ION, PALMITIC ACID
Authors:Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S.
Deposit date:2013-05-23
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
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
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, 3-deoxy-manno-octulosonate cytidylyltransferase, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Heyes, D.J, Levy, C.W, Lafite, P, Scrutton, N.S, Leys, D.
Deposit date:2009-10-14
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
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
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
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
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
3P8J
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BU of 3p8j by Molmil
Y351S mutant of pentaerythritol tetranitrate reductase containing a bound acetate molecule
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-14
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1 Å)
Cite:Active site modifications in pentaerythritol tetranitrate reductase can lead to improved product enantiopurity, decreased by-product formation and altered stereochemical outcome in reactions with a,b-unsaturated nitroolefins
Catalysis Science and Technology, 2011

220113

数据于2024-05-22公开中

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