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4ZAB
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BU of 4zab by Molmil
Structure of A. niger Fdc1 in complex with alpha-fluoro cinnamic acid
Descriptor: (2Z)-2-fluoro-3-phenylprop-2-enoic acid, 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, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, ...
Authors:Payne, K.A.P, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
4ZAW
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BU of 4zaw by Molmil
Structure of UbiX in complex with reduced prenylated FMN
Descriptor: 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, PHOSPHATE ION, Probable aromatic acid decarboxylase, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-14
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
4ZA8
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BU of 4za8 by Molmil
Crystal structure of A niger Fdc1 in complex with penta-fluorocinnamic acid
Descriptor: 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, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, MANGANESE (II) ION, ...
Authors:Payne, K.A.P, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
4ZAL
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BU of 4zal by Molmil
Structure of UbiX E49Q mutant in complex with reduced FMN and dimethylallyl monophosphate
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, Dimethylallyl monophosphate, THIOCYANATE ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
4ZAC
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BU of 4zac by Molmil
Structure of S. cerevisiae Fdc1 with the prenylated-flavin cofactor in the iminium form.
Descriptor: 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, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
5LTE
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BU of 5lte by Molmil
Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM)
Descriptor: 2-ETHOXYETHANOL, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Ortmayer, M, Leys, D.
Deposit date:2016-09-06
Release date:2016-11-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
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
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
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
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
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
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
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
5LTH
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BU of 5lth by Molmil
Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM) in complex with the dimethylamine substrate
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYLAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ortmayer, M, Leys, D.
Deposit date:2016-09-06
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
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
5LTI
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BU of 5lti by Molmil
Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM) in complex with the dimethylamine substrate
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYLAMINE, NITRIC OXIDE, ...
Authors:Ortmayer, M, Leys, D.
Deposit date:2016-09-06
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
6F53
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BU of 6f53 by Molmil
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE QUADRUPLE VARIANT V88I/L99V/D103S/V101A
Descriptor: Steroid Delta-isomerase
Authors:Dunstan, M, Currin, A.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
6F4Y
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BU of 6f4y by Molmil
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE VARIANT D103S
Descriptor: Steroid Delta-isomerase
Authors:Dunstan, M, Currin, A.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
6F54
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BU of 6f54 by Molmil
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE TRIPLE VARIANT V88I/L99VD103S
Descriptor: Steroid Delta-isomerase
Authors:Dunstan, M, Currin, A.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
6F50
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BU of 6f50 by Molmil
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE DOUBLE VARIANT V88I/L99V
Descriptor: Steroid Delta-isomerase
Authors:Dunstan, M, Currin, A.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering the "Missing Link" in Biosynthetic (-)-Menthol Production: Bacterial Isopulegone Isomerase.
ACS Catal, 8, 2018
6FOZ
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BU of 6foz by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 13
Descriptor: 5-(3,4-dichlorophenyl)furan-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FP0
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BU of 6fp0 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
Descriptor: (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019

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PDB entries from 2024-07-17

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