4ZAF
 
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4ZAG
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4ZAN
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5L53
 | | Menthone neomenthol reductase from Mentha piperita in complex with NADP | | 分子名称: | (-)-menthone:(+)-neomenthol reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | | 登録日 | 2016-05-27 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | 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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6GW3
 | | Structure of TKS from Cannabis sativa in complex with CoA | | 分子名称: | 3,5,7-trioxododecanoyl-CoA synthase, 3,5,7-trioxododecanoyl-CoA synthase,3,5,7-trioxododecanoyl-CoA synthase, COENZYME A, ... | | 著者 | Karuppiah, V, Leys, D. | | 登録日 | 2018-06-21 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Structure of a PKS class III from Cannabis sativa
To Be Published
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5L51
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6H1L
 | | Structure of the BM3 heme domain in complex with tioconazole | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | 著者 | Jeffreys, L.N, Munro, A.W.M, Leys, D. | | 登録日 | 2018-07-12 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.968 Å) | | 主引用文献 | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
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6H1O
 | | Structure of the BM3 heme domain in complex with voriconazole | | 分子名称: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | | 著者 | Jeffreys, L.N, Munro, A.W.M, Leys, D. | | 登録日 | 2018-07-12 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.734 Å) | | 主引用文献 | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
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6HN8
 | | Structure of BM3 heme domain in complex with troglitazone | | 分子名称: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Jeffreys, L, Munro, A.W.M, Leys, D. | | 登録日 | 2018-09-14 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | Oxidation of antidiabetic compounds by cytochrome P450 BM3
To be published
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4GU5
 | | Structure of Full-length Drosophila Cryptochrome | | 分子名称: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION | | 著者 | 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. | | 登録日 | 2012-08-29 | | 公開日 | 2012-09-26 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Updated structure of Drosophila cryptochrome.
Nature, 495, 2013
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3K8D
 | | Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase in complex with CTP and 2-deoxy-Kdo | | 分子名称: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, 3-deoxy-manno-octulosonate cytidylyltransferase, CYTIDINE-5'-TRIPHOSPHATE, ... | | 著者 | Heyes, D.J, Levy, C.W, Lafite, P, Scrutton, N.S, Leys, D. | | 登録日 | 2009-10-14 | | 公開日 | 2009-11-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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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6H1S
 | | Structure of the BM3 heme domain in complex with fluconazole | | 分子名称: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | 著者 | Jeffreys, L.N, Munro, A.W.M, Leys, D. | | 登録日 | 2018-07-12 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
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3KP1
 | | Crystal structure of ornithine 4,5 aminomutase (Resting State) | | 分子名称: | 5'-DEOXYADENOSINE, COBALAMIN, D-ornithine aminomutase E component, ... | | 著者 | Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D. | | 登録日 | 2009-11-14 | | 公開日 | 2010-01-26 | | 最終更新日 | 2019-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
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5E1W
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5E20
 | | Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the 2,3-dichlorophenol bound form | | 分子名称: | 2,3-dichlorophenol, Transcriptional regulator, MarR family | | 著者 | Quezada, C.P, Dunstan, M.S, Fisher, K, Leys, D. | | 登録日 | 2015-09-30 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators
To be published
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5E1Z
 | | Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the 2,4-dichlorophenol bound form | | 分子名称: | 2,4-dichlorophenol, Transcriptional regulator, MarR family | | 著者 | Quezada, C.P, Dunstan, M.S, Fisher, K, Leys, D. | | 登録日 | 2015-09-30 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators
to be published
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6R2T
 | | Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in the radical form) and phenylpropiolic acid | | 分子名称: | 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, ... | | 著者 | Bailey, S.S, Leys, D. | | 登録日 | 2019-03-18 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
to be published
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6R3O
 | | Aspergillus niger ferric acid decarboxylase (Fdc) L439G variant in complex with prFMN (purified in the radical form) and phenylpropiolic acid | | 分子名称: | 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, ... | | 著者 | Bailey, S.S, Leys, D. | | 登録日 | 2019-03-20 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
to be published
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5E1X
 | | Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the 3,4-dichlorophenol bound form | | 分子名称: | 3,4-dichlorophenol, Transcriptional regulator, MarR family | | 著者 | Quezada, C.P, Dunstan, M.S, Fisher, K, Leys, D. | | 登録日 | 2015-09-30 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators
TO BE PUBLISHED
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3K8E
 | | Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase | | 分子名称: | 3-deoxy-manno-octulosonate cytidylyltransferase | | 著者 | Heyes, D.J, Levy, C.W, Lafite, P, Scrutton, N.S, Leys, D. | | 登録日 | 2009-10-14 | | 公開日 | 2009-11-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | 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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5A3C
 | | Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with NAD | | 分子名称: | 1,2-ETHANEDIOL, GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I. | | 登録日 | 2015-05-28 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
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3JSX
 | | X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 | | 分子名称: | 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | 著者 | Dunstan, M.S, Levy, C, Leys, D. | | 登録日 | 2009-09-11 | | 公開日 | 2010-01-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | 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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4J31
 | | Crystal Structure of kynurenine 3-monooxygenase (KMO-396Prot) | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | | 著者 | Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S. | | 登録日 | 2013-02-05 | | 公開日 | 2013-04-10 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
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4J2W
 | | Crystal Structure of kynurenine 3-monooxygenase (KMO-396Prot-Se) | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | | 著者 | Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S. | | 登録日 | 2013-02-05 | | 公開日 | 2013-04-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
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5A3B
 | | Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with ADP-ribose | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, ALANINE, ... | | 著者 | Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I. | | 登録日 | 2015-05-28 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
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