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Cu metallated H254F mutant of nitrite reductase
Descriptor:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:	Hough, M.A, Eady, R.R, Hasnain, S.S.
Deposit date:	2010-11-10
Release date:	2011-05-18
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (1.5 Å)
Cite:	Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase. Biochemistry, 50, 2011

2YLD

RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A
Descriptor:	ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
Authors:	Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:	2011-06-02
Release date:	2011-10-05
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (1.25 Å)
Cite:	Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011

2YL3

CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16G VARIANT AT 1.04 A RESOLUTION - RESTRAINT REFINED
Descriptor:	CARBON MONOXIDE, CYTOCHROME C', HEME C, ...
Authors:	Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:	2011-05-31
Release date:	2011-10-05
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (1.04 Å)
Cite:	Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011

2HJ4

Crystal structure of Alcaligenes faecalis AADH complex with p-nitrobenzylamine
Descriptor:	Aromatic amine dehydrogenase; chain A, B, Aromatic amine dehydrogenase; chain D, ...
Authors:	Roujeinikova, A, Leys, D.
Deposit date:	2006-06-30
Release date:	2007-11-06
Last modified:	2011-07-13
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase. Biochemistry, 46, 2007

2I0T

Crystal structure of phenylacetaldehyde derived R-carbinolamine adduct of aromatic amine dehydrogenase
Descriptor:	2-PHENYL-ETHANOL, Aromatic amine dehydrogenase
Authors:	Roujeinikova, A, Leys, D.
Deposit date:	2006-08-11
Release date:	2007-04-24
Last modified:	2011-07-13
Method:	X-RAY DIFFRACTION (1.35 Å)
Cite:	New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates. J.Biol.Chem., 282, 2007

2HKR

Structures of the carbinolamine and schiff-base intermediates in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with p-methoxyphenylethylamine
Descriptor:	2-(4-METHOXYPHENYL)ACETAMIDE, 2-(4-METHOXYPHENYL)ETHANAMINE, Aromatic amine dehydrogenase, ...
Authors:	Roujeinikova, A, Leys, D.
Deposit date:	2006-07-05
Release date:	2008-04-01
Last modified:	2011-07-13
Method:	X-RAY DIFFRACTION (1.4 Å)
Cite:	Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase To be Published

2I0S

Crystal structure of aromatic amine dehydrogenase TTQ-phenylacetaldehyde adduct
Descriptor:	Aromatic amine dehydrogenase, PHENYLACETALDEHYDE
Authors:	Roujeinikova, A, Leys, D.
Deposit date:	2006-08-11
Release date:	2007-04-24
Last modified:	2011-07-13
Method:	X-RAY DIFFRACTION (1.4 Å)
Cite:	New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates. J.Biol.Chem., 282, 2007

2HJB

Crystal structure of Alcaligenes faecalis AADH in complex with p-methoxybenzylamine
Descriptor:	1-(4-METHOXYPHENYL)METHANAMINE, Aromatic amine dehydrogenase
Authors:	Roujeinikova, A, Leys, D.
Deposit date:	2006-06-30
Release date:	2007-11-06
Last modified:	2017-10-18
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase. Biochemistry, 46, 2007

2HKM

Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with phenylethylamine.
Descriptor:	2-PHENYLETHYLAMINE, Aromatic amine dehydrogenase
Authors:	Roujeinikova, A, Leys, D.
Deposit date:	2006-07-05
Release date:	2008-04-01
Last modified:	2011-07-13
Method:	X-RAY DIFFRACTION (1.5 Å)
Cite:	Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase To be Published

2HXC

Crystal structure of the benzylamine complex of aromatic amine dehydrogenase in N-semiquinone form
Descriptor:	Aromatic amine dehydrogenase, BENZYLAMINE
Authors:	Roujeinikova, A, Leys, D.
Deposit date:	2006-08-03
Release date:	2006-09-26
Last modified:	2011-07-13
Method:	X-RAY DIFFRACTION (1.45 Å)
Cite:	Atomic level insight into the oxidative half-reaction of aromatic amine dehydrogenase. J.Biol.Chem., 281, 2006

2I0R

Crystal structure of aromatic amine dehydrogenase TTQ-formamide adduct
Descriptor:	Aromatic Amine Dehydrogenase
Authors:	Roujeinikova, A, Leys, D.
Deposit date:	2006-08-11
Release date:	2007-04-24
Last modified:	2011-07-13
Method:	X-RAY DIFFRACTION (1.4 Å)
Cite:	New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates. J.Biol.Chem., 282, 2007

5LTE

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:	2017-08-30
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme. Nature, 539, 2016

5MSU

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

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

5LTH

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

5MSD

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

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

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

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:	2019-10-16
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis. Nat. Chem. Biol., 13, 2017

5MSP

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

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

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:	2019-10-16
Method:	X-RAY DIFFRACTION (1.74 Å)
Cite:	Structure and mechanism of carboxylic acid reductase To be published

5MSS

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

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

5MSR

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

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