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6R3N
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BU of 6r3n by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and butynoic acid (Int1')
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM 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 (1.02 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R33
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BU of 6r33 by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc)in complex with the covalent adduct formed between prFMN cofactor and phenylpropiolic acid, following decarboxylation (Int3')
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-19
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3I
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BU of 6r3i by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent adduct formed between prFMN cofactor and pentafluorocinnamic acid (Int2)
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM 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 (1.14 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R32
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BU of 6r32 by Molmil
Aspergillus niger ferrulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and phenylpropiolic acid (Int1')
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-19
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3J
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BU of 6r3j by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and crotonic acid following decarboxylation (Int3)
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM 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 (1.39 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3F
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BU of 6r3f by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent adduct formed between prFMN cofactor and cinnamic acid (Int2)
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM 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 (1.25 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To Be Published
1LJ1
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BU of 1lj1 by Molmil
Crystal structure of Q363F/R402A mutant flavocytochrome c3
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Mowat, C.G, Pankhurst, K.L, Miles, C.S, Leys, D, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
登録日2002-04-18
公開日2002-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering Water to act as the active site acid catalyst in a soluble fumarate reductase
Biochemistry, 41, 2002
1M64
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BU of 1m64 by Molmil
Crystal structure of Q363F mutant flavocytochrome c3
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Mowat, C.G, Pankhurst, K.L, Miles, C.S, Leys, D, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
登録日2002-07-12
公開日2002-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering water to act as an active site acid catalyst in a soluble fumarate reductase
Biochemistry, 41, 2002
4GU5
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BU of 4gu5 by Molmil
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
8PO5
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BU of 8po5 by Molmil
Lactobacillus plantarum LpdD
分子名称: MANGANESE (II) ION, Protein LpdD
著者Gahloth, D, Leys, D.
登録日2023-07-03
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Gallate decarboxylase subunit D, LpdD
To Be Published
8PZO
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BU of 8pzo by Molmil
LpdD
分子名称: Protein LpdD, SODIUM ION
著者Gahloth, D, Leys, D.
登録日2023-07-27
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of LpdD from Lactobacillus plantarum.
To Be Published
8PZH
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BU of 8pzh by Molmil
LpdD (H61A) mutant
分子名称: MANGANESE (II) ION, PHOSPHATE ION, Protein LpdD
著者Gahloth, D, Leys, D.
登録日2023-07-27
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure of LpdD (H61A) mutant from Lactobacillus plantarum.
To Be Published
6HN8
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BU of 6hn8 by Molmil
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
6H1S
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BU of 6h1s by Molmil
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
6H1L
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BU of 6h1l by Molmil
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
6H1O
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BU of 6h1o by Molmil
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
6H6X
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BU of 6h6x by Molmil
Structure of an evolved dimeric form of the UbiD-class enzyme HmfF from Pelotomaculum thermopropionicum in complex with prFMN
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, 3-polyprenyl-4-hydroxybenzoate decarboxylase and related decarboxylases, CALCIUM ION, ...
著者Payne, K.A.P, Leys, D.
登録日2018-07-30
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Enzymatic Carboxylation of 2-Furoic Acid Yields 2,5-Furandicarboxylic Acid (FDCA).
Acs Catalysis, 9, 2019
6QLJ
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BU of 6qlj by Molmil
Crystal structure of F181Q UbiX in complex with an oxidised N5-C1' adduct derived from DMAP
分子名称: 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION, ...
著者Marshall, S.A, Leys, D.
登録日2019-02-01
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
2XKR
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BU of 2xkr by Molmil
Crystal Structure of Mycobacterium tuberculosis CYP142: A novel cholesterol oxidase
分子名称: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 142, TETRAETHYLENE GLYCOL
著者Driscoll, M, McLean, K.J, Levy, C.W, Lafite, P, Mast, N, Pikuleva, I.A, Rigby, S.E.J, Leys, D, Munro, A.W.
登録日2010-07-12
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural and Biochemical Characterization of Mycobacterium Tuberculosis Cyp142: Evidence for Multiple Cholesterol 27-Hydroxylase Activities in a Human Pathogen.
J.Biol.Chem., 285, 2010
6QLG
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BU of 6qlg by Molmil
Crystal structure of AnUbiX (PadA1) in complex with FMN and dimethylallyl pyrophosphate
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, ...
著者Marshall, S.A, Payne, K.A.P, Leys, D.
登録日2019-02-01
公開日2019-06-05
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QLH
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BU of 6qlh by Molmil
Crystal structure of UbiX in complex with reduced FMN and isopentyl monophosphate
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavin prenyltransferase UbiX, Isopentenyl phosphate, ...
著者Marshall, S.A, Leys, D.
登録日2019-02-01
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QLI
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BU of 6qli by Molmil
Crystal structure of F181Q UbiX in complex with FMN and dimethylallyl monophosphate
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, Flavin prenyltransferase UbiX, ...
著者Marshall, S.A, Leys, D.
登録日2019-02-01
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QLV
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BU of 6qlv by Molmil
Crystal structure of W200H UbiX in complex with a geranyl-FMN N5 adduct
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, ...
著者Marshall, S.A, Leys, D.
登録日2019-02-01
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
2AGL
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BU of 2agl by Molmil
Crystal structure of the phenylhydrazine adduct of aromatic amine dehydrogenase from Alcaligenes faecalis
分子名称: 1-PHENYLHYDRAZINE, Aromatic amine dehydrogenase
著者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.
登録日2005-07-27
公開日2006-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase
著者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.
登録日2005-07-27
公開日2006-04-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006

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