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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

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

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

5JLI

Nitric oxide complex of the L16A mutant of cytochrome c prime from Alcaligenes xylosoxidans
Descriptor:	ASCORBIC ACID, Cytochrome c', HEME C, ...
Authors:	Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:	2016-04-27
Release date:	2017-03-08
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.55 Å)
Cite:	Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017

5JRA

Nitric oxide complex of the L16V mutant of cytochrome c prime from Alcaligenes xylosoxidans
Descriptor:	ASCORBIC ACID, Cytochrome c', HEME C, ...
Authors:	Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:	2016-05-06
Release date:	2017-03-08
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.38 Å)
Cite:	Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017

5JVE

L16I mutant of cytochrome c prime from Alcaligenes xylosoxidans: Ferrous state
Descriptor:	Cytochrome c', HEME C
Authors:	Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:	2016-05-11
Release date:	2017-03-08
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.12 Å)
Cite:	Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017

5JSL

The L16F mutant of cytochrome c prime from Alcaligenes xylosoxidans: Ferrous form
Descriptor:	ASCORBIC ACID, Cytochrome c', HEME C, ...
Authors:	Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:	2016-05-08
Release date:	2017-03-08
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.25 Å)
Cite:	Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017

5JP7

Ferrous Leu 16 Val mutant of cytochrome c prime from Alcaligenes xylosoxidans
Descriptor:	Cytochrome c', HEME C
Authors:	Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:	2016-05-03
Release date:	2017-03-08
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.26 Å)
Cite:	Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017

5JT4

L16A mutant of cytochrome c prime from Alcaligenes xylosoxidans: Ferrous state
Descriptor:	ASCORBIC ACID, Cytochrome c', HEME C, ...
Authors:	Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:	2016-05-09
Release date:	2017-03-08
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.25 Å)
Cite:	Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017

5JS5

Nitric oxide complex of the L16F mutant of cytochrome c prime from Alcaligenes xylosoxidans
Descriptor:	ASCORBIC ACID, Cytochrome c', HEME C, ...
Authors:	Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:	2016-05-07
Release date:	2017-03-08
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017

5JUA

Nitric oxide complex of the L16I mutant of cytochrome c prime from Alcaligenes xylosoxidans
Descriptor:	Cytochrome c', HEME C, NITRIC OXIDE
Authors:	Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:	2016-05-10
Release date:	2017-03-08
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.13 Å)
Cite:	Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017

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:	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

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

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

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

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

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

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:	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

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

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:	2024-05-08
Method:	X-RAY DIFFRACTION (1.74 Å)
Cite:	Structure and mechanism of carboxylic acid reductase To be published

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

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