6H6V
 
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6H1T
 | | Structure of the BM3 heme domain in complex with clotrimazole | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, ... | | Authors: | Jeffreys, L.N, Munro, A.W.M, Leys, D. | | Deposit date: | 2018-07-12 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
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7NF3
 | | Structure of A. niger Fdc T395M variant (AnFdcI) in complex 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-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | Saaret, A, Leys, D. | | Deposit date: | 2021-02-05 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Directed evolution of prenylated FMN-dependent Fdc supports efficient in vivo isobutene production.
Nat Commun, 12, 2021
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7NF2
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7NF4
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7NF1
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7NEY
 | | Structure of T. atroviride Fdc wild-type (TaFdc) in complex 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-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | Saaret, A, Leys, D. | | Deposit date: | 2021-02-05 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Directed evolution of prenylated FMN-dependent Fdc supports efficient in vivo isobutene production.
Nat Commun, 12, 2021
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7NF0
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6H1O
 | | Structure of the BM3 heme domain in complex with voriconazole | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | | Authors: | Jeffreys, L.N, Munro, A.W.M, Leys, D. | | Deposit date: | 2018-07-12 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.734 Å) | | Cite: | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
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6H6X
 | | Structure of an evolved dimeric form of the UbiD-class enzyme HmfF from Pelotomaculum thermopropionicum in complex 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-y l)-D-ribitol, 3-polyprenyl-4-hydroxybenzoate decarboxylase and related decarboxylases, CALCIUM ION, ... | | Authors: | Payne, K.A.P, Leys, D. | | Deposit date: | 2018-07-30 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Enzymatic Carboxylation of 2-Furoic Acid Yields 2,5-Furandicarboxylic Acid (FDCA).
Acs Catalysis, 9, 2019
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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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7AE7
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7AE4
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7AE5
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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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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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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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3CLT
 | | Crystal structure of the R236E mutant of Methylophilus methylotrophus ETF | | Descriptor: | ADENOSINE MONOPHOSPHATE, Electron transfer flavoprotein subunit alpha, Electron transfer flavoprotein subunit beta, ... | | Authors: | Katona, G, Leys, D. | | Deposit date: | 2008-03-20 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing the dynamic interface between trimethylamine dehydrogenase (TMADH) and electron transferring flavoprotein (ETF) in the TMADH-2ETF complex: role of the Arg-alpha237 (ETF) and Tyr-442 (TMADH) residue pair.
Biochemistry, 47, 2008
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3CLU
 | | Crystal structure of the R236K mutant from Methylophilus methylotrophus ETF | | Descriptor: | ADENOSINE MONOPHOSPHATE, Electron transfer flavoprotein subunit alpha, Electron transfer flavoprotein subunit beta, ... | | Authors: | Katona, G, Leys, D. | | Deposit date: | 2008-03-20 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Probing the dynamic interface between trimethylamine dehydrogenase (TMADH) and electron transferring flavoprotein (ETF) in the TMADH-2ETF complex: role of the Arg-alpha237 (ETF) and Tyr-442 (TMADH) residue pair.
Biochemistry, 47, 2008
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3CLS
 | | Crystal structure of the R236C mutant of ETF from Methylophilus methylotrophus | | Descriptor: | ADENOSINE MONOPHOSPHATE, Electron transfer flavoprotein subunit alpha, Electron transfer flavoprotein subunit beta, ... | | Authors: | Katona, G, Leys, D. | | Deposit date: | 2008-03-20 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Probing the dynamic interface between trimethylamine dehydrogenase (TMADH) and electron transferring flavoprotein (ETF) in the TMADH-2ETF complex: role of the Arg-alpha237 (ETF) and Tyr-442 (TMADH) residue pair.
Biochemistry, 47, 2008
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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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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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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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4J31
 | | 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
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4J2W
 | | 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
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