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4CPD
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BU of 4cpd by Molmil
Alcohol dehydrogenase TADH from Thermus sp. ATN1
Descriptor: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Man, H, Gargulio, S, Frank, A, Hollmann, F, Grogan, G.
Deposit date:2014-02-05
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structure of the Nadh-Dependent Thermostable Alcohol Dehydrogenase Tadh from Thermus Sp. Atn1 Provides a Platform for Engineering Specificity and Improved Compatibility with Inorganic Cofactor-Regeneration Catalysts
J.Mol.Catal., B Enzym., 105, 2014
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)
Descriptor: 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, ...
Authors:Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S.
Deposit date:2015-07-21
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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)
Descriptor: 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
Authors:Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S.
Deposit date:2015-07-21
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
5CPM
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BU of 5cpm by Molmil
XenA from Pseudomonas putida in complex with NADPH4.
Descriptor: 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
Authors:Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S.
Deposit date:2015-07-21
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
5CPO
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BU of 5cpo by Molmil
Crystal structure of XenA from Pseudomonas putida in complex with an NADH mimic (mBu)
Descriptor: 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, ...
Authors:Levy, C.W.
Deposit date:2015-07-21
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
7PN6
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BU of 7pn6 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with myristic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PN7
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BU of 7pn7 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with palmitoleic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PN5
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BU of 7pn5 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with hexane
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PNA
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BU of 7pna by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with 12-methoxylauric acid
Descriptor: 12-methoxylauric acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PN8
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BU of 7pn8 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with tetradecane
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PN4
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BU of 7pn4 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with naphthalene
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PN9
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BU of 7pn9 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with lauric acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Fernandez-Garcia, A, Sanz-Aparicio, J.
Deposit date:2021-09-06
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023

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PDB entries from 2024-04-17

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