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PDB: 164 results

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
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
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
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
4FQD
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BU of 4fqd by Molmil
Crystal structure of the enolpyruvyl transferase NikO from Streptomyces tendae
Descriptor: NikO protein, SULFATE ION
Authors:Oberdorfer, G, Gruber, K.
Deposit date:2012-06-25
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional characterization of NikO, an enolpyruvyl transferase essential in nikkomycin biosynthesis.
J.Biol.Chem., 287, 2012
5L46
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BU of 5l46 by Molmil
Crystal structure of human dimethylglycine-dehydrogenase
Descriptor: Dimethylglycine dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Hromic, A, Pavkov-Keller, T, Gruber, K.
Deposit date:2016-05-25
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structure and biochemical properties of recombinant human dimethylglycine dehydrogenase and comparison to the disease-related H109R variant.
Febs J., 283, 2016
5LUI
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BU of 5lui by Molmil
Structure of cutinase 1 from Thermobifida cellulosilytica
Descriptor: CHLORIDE ION, Cutinase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Hromic, A, Lyskowski, A, Gruber, K.
Deposit date:2016-09-08
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
4EC3
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BU of 4ec3 by Molmil
Structure of berberine bridge enzyme, H174A variant in complex with (S)-reticuline
Descriptor: (S)-reticuline, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Winkler, A, Macheroux, P, Gruber, K.
Deposit date:2012-03-26
Release date:2012-07-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6501 Å)
Cite:Catalytic and structural role of a conserved active site histidine in berberine bridge enzyme.
Biochemistry, 51, 2012
1ZCH
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BU of 1zch by Molmil
Structure of the hypothetical oxidoreductase YcnD from Bacillus subtilis
Descriptor: CALCIUM ION, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Morokutti, A, Lyskowski, A, Sollner, S, Pointner, E, Fitzpatrick, T.B, Kratky, C, Gruber, K, Macheroux, P.
Deposit date:2005-04-12
Release date:2005-11-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Function of YcnD from Bacillus subtilis, a Flavin-Containing Oxidoreductase(,).
Biochemistry, 44, 2005
3T6B
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BU of 3t6b by Molmil
Structure of human DPPIII in complex with the opioid peptide Tynorphin, at 2.4 Angstroms
Descriptor: Dipeptidyl peptidase 3, Tynorphin
Authors:Bezerra, G.A, Gruber, K.
Deposit date:2011-07-28
Release date:2012-04-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III
Proc.Natl.Acad.Sci.USA, 109, 2012
5MP4
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BU of 5mp4 by Molmil
The structure of Pst2p from Saccharomyces cerevisiae
Descriptor: PHOSPHATE ION, Protoplast secreted protein 2
Authors:Hromic, A, Gruber, K.
Deposit date:2016-12-15
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure, biochemical and kinetic properties of recombinant Pst2p from Saccharomyces cerevisiae, a FMN-dependent NAD(P)H:quinone oxidoreductase.
Biochim. Biophys. Acta, 1865, 2017
3T6J
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BU of 3t6j by Molmil
Structure of human DPPIII in complex with the opioid peptide Tynorphin, at 3.0 Angstroms
Descriptor: Dipeptidyl peptidase 3, Tynorphin
Authors:Bezerra, G.A, Gruber, K.
Deposit date:2011-07-28
Release date:2012-04-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.976 Å)
Cite:Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III.
Proc.Natl.Acad.Sci.USA, 109, 2012
8ACS
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BU of 8acs by Molmil
Crystal structure of FMO from Janthinobacterium svalbardensis
Descriptor: DI(HYDROXYETHYL)ETHER, FAD-dependent oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Polidori, N, Galuska, P, Gruber, K.
Deposit date:2022-07-06
Release date:2022-09-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Cold-Active Flavin-Dependent Monooxygenase from Janthinobacterium svalbardensis Unlocks Applications of Baeyer-Villiger Monooxygenases at Low Temperature.
Acs Catalysis, 13, 2023
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
8AUG
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BU of 8aug by Molmil
XenA Y183F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUM
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BU of 8aum by Molmil
OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUN
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BU of 8aun by Molmil
OPR3 Y370F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 1,2-ETHANEDIOL, 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUE
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BU of 8aue by Molmil
12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 1,2-ETHANEDIOL, 12-oxophytodienoate reductase 3, 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AU9
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BU of 8au9 by Molmil
Xenobiotic reductase A from Pseudomonas putida in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, DI(HYDROXYETHYL)ETHER, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUB
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BU of 8aub by Molmil
12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8A8I
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BU of 8a8i by Molmil
Xenobiotic reductase A from Pseudomonas putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-06-23
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AU8
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BU of 8au8 by Molmil
Xenobiotic reductase A from P. putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUH
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BU of 8auh by Molmil
Xenobiotic reductase A Y27F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUI
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BU of 8aui by Molmil
Xenobiotic reductase A Y27F variant in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023

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