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8QHE
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BU of 8qhe by Molmil
Crystal structure IR-09
Descriptor: 6-phosphogluconate dehydrogenase NADP-binding domain-containing protein, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Levy, C.W.
Deposit date:2023-09-07
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Biocatalysis in Drug Design: Engineered Reductive Aminases (RedAms) Are Used to Access Chiral Building Blocks with Multiple Stereocenters.
J.Am.Chem.Soc., 145, 2023
5LOA
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BU of 5loa by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH) bound to NADP+
Descriptor: Meso-diaminopimelate D-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Dunstan, M.S, Gahloth, D.
Deposit date:2016-08-09
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published
5LTM
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BU of 5ltm by Molmil
Crystal structure of phenylalanine ammonia-lyase from Anabaena variabilis (Y78F-C503S-C565S) bound to cinnamate
Descriptor: HYDROCINNAMIC ACID, phenylalanine ammonia lyase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2016-09-07
Release date:2017-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Zymophore identification enables the discovery of novel phenylalanine ammonia lyase enzymes.
Sci Rep, 7, 2017
4D3S
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BU of 4d3s by Molmil
Imine reductase from Nocardiopsis halophila
Descriptor: IMINE REDUCTASE, octyl beta-D-glucopyranoside
Authors:Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
Deposit date:2014-10-23
Release date:2015-04-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
4D3D
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BU of 4d3d by Molmil
Structure of Imine Reductase BcSIRED from Bacillus cereus BAG3X2
Descriptor: IMINE REDUCTASE, MAGNESIUM ION, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL
Authors:Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
Deposit date:2014-10-21
Release date:2015-04-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
4D3F
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BU of 4d3f by Molmil
BcSIRED from Bacillus cereus in complex with NADPH
Descriptor: IMINE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
Deposit date:2014-10-21
Release date:2015-04-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
3ZHB
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BU of 3zhb by Molmil
R-imine reductase from Streptomyces kanamyceticus in complex with NADP.
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, R-IMINE REDUCTASE
Authors:Rodriguez Mata, M, Frank, A, Grogan, G.
Deposit date:2012-12-20
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structure and Activity of Nadph-Dependent Reductase Q1Eqe0 from Streptomyces Kanamyceticus, which Catalyses the R-Selective Reduction of an Imine Substrate.
Chembiochem, 14, 2013
6GII
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BU of 6gii by Molmil
The crystal structure of Tepidiphilus thermophilus P450 heme domain
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Levy, C.W.
Deposit date:2018-05-11
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of P450-TT heme-domain provides the first structural insights into the versatile class VII P450s.
Biochem. Biophys. Res. Commun., 501, 2018
5MSS
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BU of 5mss by Molmil
Structure of the A-PCP didomain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, SODIUM ION, Thioester reductase domain-containing protein
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSU
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BU of 5msu by Molmil
Structure of the R domain of carboxylic acid reductase (CAR) from Mycobacterium marinum in complex with NADP, P21 form
Descriptor: Carboxylic acid reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MLN
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BU of 5mln by Molmil
The crystal structure of alcohol dehydrogenase 10 from Candida magnoliae
Descriptor: Alcohol dehydrogenase 3, DI(HYDROXYETHYL)ETHER, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Castellanos, J.R.G, Mattevi, A.
Deposit date:2016-12-07
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:One-Pot Biocatalytic Double Oxidation of alpha-Isophorone for the Synthesis of Ketoisophorone
Chemcatchem, 2017
5MST
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BU of 5mst by Molmil
Structure of the A domain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with AMP and a co-purified carboxylic acid
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, FUMARIC ACID, ...
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSR
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BU of 5msr by Molmil
Structure of the unmodified PCP-R domain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with NADPH, P43 form
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioester reductase domain-containing protein
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSC
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BU of 5msc by Molmil
Structure of the A domain of carboxylic acid reductase (CAR) from Nocardia iowensis in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Carboxylic acid reductase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2017-01-04
Release date:2017-07-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSP
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BU of 5msp by Molmil
Structure of the unmodified PCP-R didomain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with NADP, F2221 form
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioester reductase domain-containing protein
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSV
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BU of 5msv by Molmil
Structure of the phosphopantetheine modified PCP-R didomain of carboxylic acid reductase (CAR) in complex with NADP
Descriptor: 4'-PHOSPHOPANTETHEINE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioester reductase domain-containing protein
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSQ
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BU of 5msq by Molmil
Structure of the A domain of carboxylic acid reductase (CAR) from Nocardia iowensis in complex with AMP and iodide
Descriptor: ADENOSINE MONOPHOSPHATE, Carboxylic acid reductase, IODIDE ION
Authors:Dunstan, M.S, Leys, D.
Deposit date:2017-01-05
Release date:2018-01-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure and mechanism of carboxylic acid reductase
To be published
5MSD
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BU of 5msd by Molmil
Structure of the A domain of carboxylic acid reductase (CAR) from Nocardia iowensis in complex with AMP and benzoic acid
Descriptor: ADENOSINE MONOPHOSPHATE, BENZOIC ACID, Carboxylic acid reductase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2017-01-04
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSO
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BU of 5mso by Molmil
Structure of the R domain of carboxylic acid reductase (CAR) from Mycobacterium marinum in complex with NADP
Descriptor: Carboxylic acid reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
5MSW
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BU of 5msw by Molmil
Structure of the A-PCP didomain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Thioester reductase domain-containing protein
Authors:Gahloth, D, Leys, D.
Deposit date:2017-01-05
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis.
Nat. Chem. Biol., 13, 2017
2VVL
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BU of 2vvl by Molmil
The structure of MAO-N-D3, a variant of monoamine oxidase from Aspergillus niger.
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE N
Authors:Atkin, K.E, Hart, S, Turkenburg, J.P, Brzozowski, A.M, Grogan, G.J.
Deposit date:2008-06-10
Release date:2008-11-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Structure of Monoamine Oxidase from Aspergillus Niger Provides a Molecular Context for Improvements in Activity Obtained by Directed Evolution.
J.Mol.Biol., 384, 2008
2VVM
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BU of 2vvm by Molmil
The structure of MAO-N-D5, a variant of monoamine oxidase from Aspergillus niger.
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE N, ...
Authors:Atkin, K.E, Hart, S, Turkenburg, J.P, Brzozowski, A.M, Grogan, G.J.
Deposit date:2008-06-10
Release date:2008-11-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Structure of Monoamine Oxidase from Aspergillus Niger Provides a Molecular Context for Improvements in Activity Obtained by Directed Evolution.
J.Mol.Biol., 384, 2008
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