2O2K
| Crystal Structure of the Activation Domain of Human Methionine Synthase Isoform/Mutant D963E/K1071N | Descriptor: | Methionine synthase | Authors: | Wolthers, K.R, Toogood, H.S, Jowitt, T.A, Marshall, K.R, Leys, D, Scrutton, N.S. | Deposit date: | 2006-11-30 | Release date: | 2006-12-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure and solution characterization of the activation domain of human methionine synthase Febs J., 274, 2007
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2OK4
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2OJY
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2Q7Q
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2QTL
| Crystal Structure of the FAD-containing FNR-like Module of Human Methionine Synthase Reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase | Authors: | Wolthers, K.R, Lou, X, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2007-08-02 | Release date: | 2007-11-13 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Coenzyme Binding to Human Methionine Synthase Reductase Revealed through the Crystal Structure of the FNR-like Module and Isothermal Titration Calorimetry Biochemistry, 46, 2007
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2QTZ
| Crystal Structure of the NADP+-bound FAD-containing FNR-like Module of Human Methionine Synthase Reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wolthers, K.R, Lou, X, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2007-08-02 | Release date: | 2007-11-13 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Coenzyme Binding to Human Methionine Synthase Reductase Revealed through the Crystal Structure of the FNR-like Module and Isothermal Titration Calorimetry Biochemistry, 46, 2007
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2R14
| Structure of morphinone reductase in complex with tetrahydroNAD | Descriptor: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase | Authors: | Costello, C.L, Scrutton, N.S, Leys, D. | Deposit date: | 2007-08-22 | Release date: | 2008-07-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms. J.Am.Chem.Soc., 129, 2007
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3TEM
| Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 6a1 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Dunstan, M.S, Leys, D. | Deposit date: | 2011-08-15 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Novel Inhibitors of NRH:Quinone Oxidoreductase 2 (NQO2): Crystal Structures, Biochemical Activity, and Intracellular Effects of Imidazoacridin-6-ones. J.Med.Chem., 54, 2011
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3TZB
| Quinone Oxidoreductase (NQ02) bound to NSC13000 | Descriptor: | 9-AMINOACRIDINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Dunstan, M.S, Leys, D. | Deposit date: | 2011-09-27 | Release date: | 2011-11-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1901 Å) | Cite: | In silico screening reveals structurally diverse, nanomolar inhibitors of NQO2 that are functionally active in cells and can modulate NF-kappa B signaling. Mol.Cancer Ther., 11, 2012
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4KVR
| 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
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4KVS
| 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
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4KVQ
| 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
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3JSX
| X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 | Descriptor: | 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Dunstan, M.S, Levy, C, Leys, D. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1). J.Med.Chem., 52, 2009
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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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5NX6
| Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate | Descriptor: | (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ... | 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 (1.63 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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5O3N
| Crystal structure of E. cloacae 3,4-dihydroxybenzoic acid decarboxylase (AroY) reconstituted with prFMN | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol, 3,4-dihydroxybenzoate decarboxylase, GLYCEROL, ... | Authors: | Marshall, S.A, Leys, D. | Deposit date: | 2017-05-24 | Release date: | 2017-09-13 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5NY5
| The apo structure of 3,4-dihydroxybenzoic acid decarboxylases from Enterobacter cloacae | Descriptor: | 3,4-dihydroxybenzoate decarboxylase, GLYCEROL | Authors: | Dordic, A, Gruber, K, Payer, S, Glueck, S, Pavkov-Keller, T, Marshall, S, Leys, D. | Deposit date: | 2017-05-11 | Release date: | 2017-09-13 | Last modified: | 2020-11-18 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5NX5
| Crystal structure of Linalool/Nerolidol synthase from Streptomyces clavuligerus in complex with 2-fluorogeranyl diphosphate | Descriptor: | (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, CHLORIDE ION, GLYCEROL, ... | 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 (1.82 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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5O3M
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5OG9
| The BM3 mutant WIFI-WC heme domain in complex with testosterone | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gamble, C, Munro, A.W, Leys, D. | Deposit date: | 2017-07-12 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Regio- and diastereoselective hydroxylation of steroids using P450-BM3: Readdressing the numbers problem in directed evolution To Be Published
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5MSS
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5MSU
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4GU5
| Structure of Full-length Drosophila Cryptochrome | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION | Authors: | 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. | Deposit date: | 2012-08-29 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Updated structure of Drosophila cryptochrome. Nature, 495, 2013
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5MST
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