4J36
 
 | | 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
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4J34
 | | 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
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4J33
 | | 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
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2IUQ
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2IUR
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2IUV
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2IUP
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3IA5
 | | 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
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3KRU
 | | 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
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3KOW
 | | 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
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3K8D
 | | 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
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3K8E
 | | Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase | | Descriptor: | 3-deoxy-manno-octulosonate cytidylyltransferase | | 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 (2.51 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
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3KOZ
 | | 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
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3KRZ
 | | 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
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3KOX
 | | 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
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3KP0
 | | 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
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3KFT
 | | 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
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3KOY
 | | 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
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3KP1
 | | 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
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5LDG
 | | Isopiperitenone reductase from Mentha piperita in complex with Isopiperitenone and NADP | | Descriptor: | (-)-Isopiperitenone, (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | | Deposit date: | 2016-06-26 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 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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5LCX
 | | Isopiperitenone reductase from Mentha piperita in complex with NADP | | Descriptor: | (-)-isopiperitenone reductase, (4S)-2-METHYL-2,4-PENTANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | | Deposit date: | 2016-06-22 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.709 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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5N6G
 | | NerA from Agrobacterium radiobacter in complex with 2-phenylacrylic acid | | Descriptor: | 2-Phenylacrylic acid, ACETATE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | | Deposit date: | 2017-02-15 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural insights into the ene-reductase synthesis of profens.
Org. Biomol. Chem., 15, 2017
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5N6Q
 | | Xenobiotic reductase A (XenA) from Pseudomonas putida in complex with 2-phenylacrylic acid | | Descriptor: | 2-Phenylacrylic acid, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | | Deposit date: | 2017-02-15 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the ene-reductase synthesis of profens.
Org. Biomol. Chem., 15, 2017
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5NX4
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5NX7
 | | Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate and 2-fluorogeranyl diphosphate | | Descriptor: | (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, ... | | Authors: | Karuppiah, V, Leys, D, Scrutton, N.S. | | Deposit date: | 2017-05-09 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
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