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PDB: 12 件

8AUG
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BU of 8aug by Molmil
XenA Y183F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
分子名称: FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUF
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BU of 8auf by Molmil
XenA Y183F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
分子名称: DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUH
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BU of 8auh by Molmil
Xenobiotic reductase A Y27F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AU9
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BU of 8au9 by Molmil
Xenobiotic reductase A from Pseudomonas putida in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, DI(HYDROXYETHYL)ETHER, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
5CPM
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BU of 5cpm by Molmil
XenA from Pseudomonas putida in complex with NADPH4.
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, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Xenobiotic reductase
著者Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S.
登録日2015-07-21
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
8AUI
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BU of 8aui by Molmil
Xenobiotic reductase A Y27F variant in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
分子名称: 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
5CPL
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BU of 5cpl by Molmil
The crystal structure of Xenobiotic reductase A (XenA) from Pseudomonas putida in complex with a nicotinamide mimic (mNH2)
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, 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide, CALCIUM ION, ...
著者Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S.
登録日2015-07-21
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
8AU8
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BU of 8au8 by Molmil
Xenobiotic reductase A from P. putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
5CPO
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BU of 5cpo by Molmil
Crystal structure of XenA from Pseudomonas putida in complex with an NADH mimic (mBu)
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, 1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide, CALCIUM ION, ...
著者Levy, C.W.
登録日2015-07-21
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
5CPN
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BU of 5cpn by Molmil
Crystal structure of XenA from Pseudomonas putida in complex with an NADH mimic (mAc)
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, 1-[(3S)-1-benzylpiperidin-3-yl]ethanone, Xenobiotic reductase
著者Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S.
登録日2015-07-21
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
8A8I
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BU of 8a8i by Molmil
Xenobiotic reductase A from Pseudomonas putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Polidori, N, Gruber, K.
登録日2022-06-23
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
5N6Q
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BU of 5n6q by Molmil
Xenobiotic reductase A (XenA) from Pseudomonas putida in complex with 2-phenylacrylic acid
分子名称: 2-Phenylacrylic acid, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S.
登録日2017-02-15
公開日2017-05-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the ene-reductase synthesis of profens.
Org. Biomol. Chem., 15, 2017

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件を2024-07-10に公開中

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