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PDB: 325 件
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
3DG9
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BU of 3dg9 by Molmil
Crystal Structure of Malonate Decarboxylase from Bordatella bronchiseptica
分子名称: Arylmalonate decarboxylase, PHOSPHATE ION
著者Okrasa, K, Levy, C, Baudendistel, N, Leys, D, Micklefield, J.
登録日2008-06-13
公開日2008-08-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and Mechanism of an Unusual Malonate Decarboxylase and Related Racemases.
Chemistry, 14, 2008
3EKF
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BU of 3ekf by Molmil
Crystal structure of the A264Q heme domain of cytochrome P450 BM3
分子名称: Cytochrome P450(BM-3), PROTOPORPHYRIN IX CONTAINING FE
著者Toogood, H.S, Leys, D.
登録日2008-09-19
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel haem co-ordination variants of flavocytochrome P450BM3.
Biochem.J., 417, 2009
3EKD
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BU of 3ekd by Molmil
Crystal structure of the A264M heme domain of cytochrome P450 BM3
分子名称: Cytochrome P450(BM-3), PALMITOLEIC ACID, PROTOPORPHYRIN IX CONTAINING FE
著者Toogood, H.S, Leys, D.
登録日2008-09-19
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel haem co-ordination variants of flavocytochrome P450BM3.
Biochem.J., 417, 2009
3F03
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BU of 3f03 by Molmil
Crystal structure of Pentaerythritol Tetranitrate Reductase complex with 1-nitrocyclohexene
分子名称: 1-nitrocyclohexene, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Roujeinikova, A.R, Toogood, H.S, Leys, D.
登録日2008-10-24
公開日2008-12-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structure-based insight into the asymmetric bioreduction of the C=C double bond of alpha,beta-unsaturated nitroalkenes by pentaerythritol tetranitrate reductase.
To be published
8J2W
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BU of 8j2w by Molmil
Saccharothrix syringae photocobilins protein, dark state
分子名称: 1,4-DIETHYLENE DIOXIDE, 5'-DEOXYADENOSINE, BILIVERDINE IX ALPHA, ...
著者Zhang, S, Poddar, H, Levy, W.C, Leys, D.
登録日2023-04-15
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
8J2X
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BU of 8j2x by Molmil
Saccharothrix syringae photocobilins protein, light state
分子名称: BILIVERDINE IX ALPHA, COBALAMIN, Cobalamin-binding protein, ...
著者Zhang, S, Poddar, H, Levy, C, Leys, D.
登録日2023-04-15
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
8J2Y
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BU of 8j2y by Molmil
Acidimicrobiaceae bacterium photocobilins protein, dark state
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, DI(HYDROXYETHYL)ETHER, ...
著者Zhang, S, Poddar, H, Levy, W.C, Leys, D.
登録日2023-04-15
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
4Z44
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BU of 4z44 by Molmil
F454K Mutant of Tryptophan 7-halogenase PrnA
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ...
著者Shepherd, S.A, Karthikeyan, C, Latham, J, Struck, A.-W, Thompson, M.L, Menon, B, Levy, C.W, Leys, D, Micklefield, J.
登録日2015-04-01
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes.
Chem Sci, 6, 2015
5A3C
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BU of 5a3c by Molmil
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
5A35
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BU of 5a35 by Molmil
Crystal structure of Glycine Cleavage Protein H-Like (GcvH-L) from Streptococcus pyogenes
分子名称: GLYCINE CLEAVAGE SYSTEM H PROTEIN, PENTAETHYLENE GLYCOL
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2015-05-27
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
5A3B
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BU of 5a3b by Molmil
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
5A3A
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BU of 5a3a by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes (Apo form)
分子名称: 1,2-ETHANEDIOL, GLYCINE, SIR2 FAMILY PROTEIN, ...
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 (1.54 Å)
主引用文献Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
5D6S
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BU of 5d6s by Molmil
Structure of epoxyqueuosine reductase from Streptococcus thermophilus.
分子名称: COBALAMIN, Epoxyqueuosine reductase, IRON/SULFUR CLUSTER
著者Payne, K.A.P, Fisher, K, Dunstan, M.S, Sjuts, H, Leys, D.
登録日2015-08-12
公開日2015-09-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification.
J.Biol.Chem., 290, 2015
5L53
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BU of 5l53 by Molmil
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
5L4S
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BU of 5l4s by Molmil
Isopiperitenone reductase from Mentha piperita in complex with NADP and beta-Cyclocitral
分子名称: (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, beta-cyclocitral
著者Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S.
登録日2016-05-26
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.41 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
5L51
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BU of 5l51 by Molmil
Menthone neomenthol reductase from Mentha piperita
分子名称: (-)-menthone:(+)-neomenthol reductase
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 (2.66 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
5LIE
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BU of 5lie by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with imidazole
分子名称: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126
著者Levy, C, Munro, A.W, Leys, D.
登録日2016-07-14
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
5LI7
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BU of 5li7 by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea
分子名称: 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126
著者Levy, C, Munro, A.W, Leys, D.
登録日2016-07-14
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
5LDG
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BU of 5ldg by Molmil
Isopiperitenone reductase from Mentha piperita in complex with Isopiperitenone and NADP
分子名称: (-)-Isopiperitenone, (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S.
登録日2016-06-26
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 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
5LCX
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BU of 5lcx by Molmil
Isopiperitenone reductase from Mentha piperita in complex with NADP
分子名称: (-)-isopiperitenone reductase, (4S)-2-METHYL-2,4-PENTANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S.
登録日2016-06-22
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.709 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
5LI8
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BU of 5li8 by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole
分子名称: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126
著者Levy, C, Munro, A.W, Leys, D.
登録日2016-07-14
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
5LTE
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BU of 5lte by Molmil
Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM)
分子名称: 2-ETHOXYETHANOL, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
著者Ortmayer, M, Leys, D.
登録日2016-09-06
公開日2016-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
5M0O
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BU of 5m0o by Molmil
Crystal structure of cytochrome P450 OleT H85Q in complex with arachidonic acid
分子名称: 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C.
登録日2016-10-05
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE.
J. Biol. Chem., 292, 2017

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