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7A0T
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BU of 7a0t by Molmil
Crystal structure of kievitone hydratase from Nectria haematococca (P21 SG)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CrtC domain-containing protein, IMIDAZOLE, ...
Authors:Pavkov-Keller, T, Gruber, K.
Deposit date:2020-08-10
Release date:2021-08-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis and reaction mechanism of kievitone hydratase from Nectria haematococca
to be published
5E4M
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BU of 5e4m by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii in complex with p-hydroxybenzaldehyde
Descriptor: Hydroxynitrile lyase, P-HYDROXYBENZALDEHYDE
Authors:Pavkov-Keller, T, Diepold, M, Gruber, K.
Deposit date:2015-10-06
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
5E4B
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BU of 5e4b by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii in complex with (R)-mandelonitrile / benzaldehyde
Descriptor: (2R)-hydroxy(phenyl)ethanenitrile, Hydroxynitrile lyase, benzaldehyde
Authors:Pavkov-Keller, T, Diepold, M, Gruber, K.
Deposit date:2015-10-05
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
5E46
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BU of 5e46 by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii
Descriptor: Hydroxynitrile lyase
Authors:Pavkov-Keller, T, Diepold, M, Gruber, K.
Deposit date:2015-10-05
Release date:2016-10-05
Last modified:2020-12-23
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
5E4D
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BU of 5e4d by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii in complex with benzoic acid
Descriptor: BENZOIC ACID, Hydroxynitrile lyase
Authors:Pavkov-Keller, T, Diepold, M, Gruber, K.
Deposit date:2015-10-05
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
5K3W
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BU of 5k3w by Molmil
Structural characterisation of fold IV-transaminase, CpuTA1, from Curtobacterium pusillum
Descriptor: 3-AMINOBENZOIC ACID, CpuTA1, PYRIDOXAL-5'-PHOSPHATE
Authors:Pavkov-Keller, T, Diepold, M, Steiner, K, Gruber, K.
Deposit date:2016-05-20
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Discovery and structural characterisation of new fold type IV-transaminases exemplify the diversity of this enzyme fold.
Sci Rep, 6, 2016
2XAA
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BU of 2xaa by Molmil
Alcohol dehydrogenase ADH-'A' from Rhodococcus ruber DSM 44541 at pH 8.5 in complex with NAD and butane-1,4-diol
Descriptor: 1,4-BUTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SECONDARY ALCOHOL DEHYDROGENASE, ...
Authors:Kroutil, W, Gruber, K, Grogan, G.
Deposit date:2010-03-30
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights Into Substrate Specificity and Solvent Tolerance in Alcohol Dehydrogenase Adh-'A' from Rhodococcus Ruber Dsm 44541.
Chem.Commun.(Camb.), 46, 2010
4FQF
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BU of 4fqf by Molmil
Crystal structure of a thionitrate intermediate of human aldehyde dehydrogenase-2
Descriptor: Aldehyde dehydrogenase, mitochondrial, MAGNESIUM ION, ...
Authors:Lang, B.S, Gruber, K.
Deposit date:2012-06-25
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:Vascular Bioactivation of Nitroglycerin by Aldehyde Dehydrogenase-2: REACTION INTERMEDIATES REVEALED BY CRYSTALLOGRAPHY AND MASS SPECTROMETRY.
J.Biol.Chem., 287, 2012
4FR8
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BU of 4fr8 by Molmil
Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ...
Authors:Lang, B.S, Gruber, K.
Deposit date:2012-06-26
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Vascular Bioactivation of Nitroglycerin by Aldehyde Dehydrogenase-2: REACTION INTERMEDIATES REVEALED BY CRYSTALLOGRAPHY AND MASS SPECTROMETRY.
J.Biol.Chem., 287, 2012
4V15
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BU of 4v15 by Molmil
Crystal structure of D-threonine aldolase from Alcaligenes xylosoxidans
Descriptor: D-THREONINE ALDOLASE, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Uhl, M.K, Oberdorfer, G, Steinkellner, G, Riegler, L, Schuermann, M, Gruber, K.
Deposit date:2014-09-24
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of D-Threonine Aldolase from Alcaligenes Xylosoxidans Provides Insight Into a Metal Ion Assisted Plp-Dependent Mechanism.
Plos One, 10, 2015
4WJL
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BU of 4wjl by Molmil
Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Inactive dipeptidyl peptidase 10, ...
Authors:Bezerra, G.A, Dobrovetsky, E, Seitova, A, Fedosyuk, S, Dhe-Paganon, S, Gruber, K.
Deposit date:2014-09-30
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels.
Sci Rep, 5, 2015
5NY5
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BU of 5ny5 by Molmil
The apo structure of 3,4-dihydroxybenzoic acid decarboxylases from Enterobacter cloacae
Descriptor: 3,4-dihydroxybenzoate decarboxylase, GLYCEROL
Authors:Dordic, A, Gruber, K, Payer, S, Glueck, S, Pavkov-Keller, T, Marshall, S, Leys, D.
Deposit date:2017-05-11
Release date:2017-09-13
Last modified:2020-11-18
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase.
Angew. Chem. Int. Ed. Engl., 56, 2017
1JU2
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BU of 1ju2 by Molmil
Crystal structure of the hydroxynitrile lyase from almond
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dreveny, I, Gruber, K, Glieder, A, Thompson, A, Kratky, C.
Deposit date:2001-08-23
Release date:2002-09-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The hydroxynitrile lyase from almond: a lyase that looks like an oxidoreductase.
Structure, 9, 2001
3RLI
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BU of 3rli by Molmil
Crystal structure of monoacylglycerol lipase from Bacillus sp. H257 in complex with PMSF
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Thermostable monoacylglycerol lipase, phenylmethanesulfonic acid
Authors:Rengachari, S, Bezerra, G.A, Gruber, K, Oberer, M.
Deposit date:2011-04-19
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes.
Biochim.Biophys.Acta, 1821, 2012
3RM3
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BU of 3rm3 by Molmil
Crystal structure of monoacylglycerol lipase from Bacillus sp. H257
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Thermostable monoacylglycerol lipase
Authors:Rengachari, S, Bezerra, G.A, Gruber, K, Oberer, M.
Deposit date:2011-04-20
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes.
Biochim.Biophys.Acta, 1821, 2012
3FW7
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BU of 3fw7 by Molmil
Structure of berberine bridge enzyme, H104A variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Winkler, A, Macheroux, P, Gruber, K.
Deposit date:2009-01-17
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:Structural roles of biocovalent flaninylation in berberine bridge enzyme
to be published
3FWA
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BU of 3fwa by Molmil
Structure of berberine bridge enzyme, C166A variant in complex with (S)-reticuline
Descriptor: (S)-reticuline, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Winkler, A, Macheroux, P, Gruber, K.
Deposit date:2009-01-17
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:Structural roles of biocovalent flaninylation in berberine bridge enzyme
to be published
3FW8
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BU of 3fw8 by Molmil
Structure of berberine bridge enzyme, C166A variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Winkler, A, Macheroux, P, Gruber, K.
Deposit date:2009-01-17
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural roles of biocovalent flaninylation in berberine bridge enzyme
to be published
3FW9
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BU of 3fw9 by Molmil
Structure of berberine bridge enzyme in complex with (S)-scoulerine
Descriptor: (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Winkler, A, Macheroux, P, Gruber, K.
Deposit date:2009-01-17
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Structural roles of biocovalent flaninylation in berberine bridge enzyme
to be published
6FRI
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BU of 6fri by Molmil
Structure of LuxB from Photobacterium leiognathi
Descriptor: ACETATE ION, Alkanal monooxygenase beta chain
Authors:Uhl, M, Gruber, K.
Deposit date:2018-02-15
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structure of LuxB from Photobacterium leiognathi
to be published
6GG2
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BU of 6gg2 by Molmil
The structure of FsqB from Aspergillus fumigatus, a flavoenzyme of the amine oxidase family
Descriptor: Amino acid oxidase fmpA, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Pavkov-Keller, T, Lahham, M, Macheroux, P, Gruber, K.
Deposit date:2018-05-02
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Oxidative cyclization ofN-methyl-dopa by a fungal flavoenzyme of the amine oxidase family.
J. Biol. Chem., 293, 2018
4CET
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BU of 4cet by Molmil
Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with dicoumarol at 2.2 A resolution
Descriptor: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
Authors:Lienhart, W.D, Gudipati, V, Uhl, M.K, Binter, A, Pulido, S, Saf, R, Zangger, K, Gruber, K, Macheroux, P.
Deposit date:2013-11-12
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Collapse of the Native Structure by a Single Amino Acid Exchange in Human Nad(P)H:Quinone Oxidoreductase (Nqo1).
FEBS J., 281, 2014
4CF6
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BU of 4cf6 by Molmil
Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with Cibacron blue at 2.7 A resolution
Descriptor: CIBACRON BLUE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
Authors:Lienhart, W.D, Gudipati, V, Uhl, M.K, Binter, A, Pulido, S, Saf, R, Zangger, K, Gruber, K, Macheroux, P.
Deposit date:2013-11-13
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Collapse of the Native Structure by a Single Amino Acid Exchange in Human Nad(P)H:Quinone Oxidoreductase (Nqo1).
FEBS J., 281, 2014
1CCW
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BU of 1ccw by Molmil
STRUCTURE OF THE COENZYME B12 DEPENDENT ENZYME GLUTAMATE MUTASE FROM CLOSTRIDIUM COCHLEARIUM
Descriptor: CYANOCOBALAMIN, D(-)-TARTARIC ACID, PROTEIN (GLUTAMATE MUTASE)
Authors:Reitzer, R, Gruber, K, Kratky, C.
Deposit date:1999-03-01
Release date:2000-03-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Glutamate mutase from Clostridium cochlearium: the structure of a coenzyme B12-dependent enzyme provides new mechanistic insights
Structure Fold.Des., 7, 1999
4ZWN
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BU of 4zwn by Molmil
Crystal Structure of a Soluble Variant of the Monoglyceride Lipase from Saccharomyces Cerevisiae
Descriptor: Monoglyceride lipase, NITRATE ION, SODIUM ION, ...
Authors:Aschauer, P, Rengachari, S, Gruber, K, Oberer, M.
Deposit date:2015-05-19
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016

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