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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
8AUJ
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BU of 8auj by Molmil
OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 1,2-ETHANEDIOL, 12-oxophytodienoate reductase 3, 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 (1.57 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
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
8AUA
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BU of 8aua by Molmil
12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, 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 (1.9 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
3SH3
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BU of 3sh3 by Molmil
Crystal structure of a pro-inflammatory lectin from the seeds of Dioclea wilsonii STANDL
Descriptor: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, CHLORIDE ION, ...
Authors:Rangel, T.B.A, Rocha, B.A.M, Bezerra, G.A, Bezerra, M.J.B, Nascimento, K.S, Nagano, C.S, Sampaio, A.H, Assreuy, A.M.S, Gruber, K, Delatorre, P, Cavada, B.S.
Deposit date:2011-06-15
Release date:2011-10-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a pro-inflammatory lectin from the seeds of Dioclea wilsonii Standl.
Biochimie, 94, 2012
8AWP
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BU of 8awp by Molmil
Crystal structure of a manganese-containing cupin (tm1459) from Thermotoga maritima, variant 208 (V19I/R23H/M38I/I60F/C106Q)
Descriptor: Cupin_2 domain-containing protein
Authors:Grininger, C, Steiner, K, Gruber, K, Pavkov-Keller, T.
Deposit date:2022-08-30
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:Engineering TM1459 for Stabilisation against Inactivation by Amino Acid Oxidation
Chem Ing Tech, 2023
8AWO
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BU of 8awo by Molmil
Crystal structure of a manganese-containing cupin (tm1459) from Thermotoga maritima, variant AIFQ (Y7A/M38I/Y83F/C106Q)
Descriptor: Cupin_2 domain-containing protein
Authors:Grininger, C, Steiner, K, Gruber, K, Pavkov-Keller, T.
Deposit date:2022-08-30
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering TM1459 for Stabilisation against Inactivation by Amino Acid Oxidation
Chem Ing Tech, 2023
8AWN
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BU of 8awn by Molmil
Crystal structure of a manganese-containing cupin (tm1459) from Thermotoga maritima, variant C106Q
Descriptor: CHLORIDE ION, Cupin_2 domain-containing protein
Authors:Grininger, C, Steiner, K, Gruber, K, Pavkov-Keller, T.
Deposit date:2022-08-30
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Engineering TM1459 for Stabilisation against Inactivation by Amino Acid Oxidation
Chem Ing Tech, 2023
4D1Y
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BU of 4d1y by Molmil
Crystal structure of a putative protease from Bacteroides thetaiotaomicron.
Descriptor: PUTATIVE PROTEASE I, RIBOFLAVIN, ZINC ION
Authors:Knaus, T, Uhl, M.K, Monschein, S, Moratti, S, Gruber, K, Macheroux, P.
Deposit date:2014-05-05
Release date:2014-10-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Stability of an Unusual Zinc-Binding Protein from Bacteroides Thetaiotaomicron.
Biochim.Biophys.Acta, 1844, 2014
4D7K
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BU of 4d7k by Molmil
Crystal structure of N,N-8-amino-8-demethyl-D-riboflavin dimethyltransferase (RosA) from Streptomyces davawensis
Descriptor: SAM-DEPENDENT METHYLTRANSFERASES
Authors:Uhl, M.K, Gruber, K.
Deposit date:2014-11-25
Release date:2016-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural and Kinetic Studies on Rosa, the Enzyme Catalysing the Methylation of 8-Demethyl-8-Amino-D-Riboflavin to the Antibiotic Roseoflavin
FEBS J., 283, 2016
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:2023-09-13
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
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
3GDN
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BU of 3gdn by Molmil
Almond hydroxynitrile lyase in complex with benzaldehyde
Descriptor: (2R)-hydroxy(phenyl)ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Dreveny, I, Gruber, K, Kratky, C.
Deposit date:2009-02-24
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Substrate binding in the FAD-dependent hydroxynitrile lyase from almond provides insight into the mechanism of cyanohydrin formation and explains the absence of dehydrogenation activity.
Biochemistry, 48, 2009
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
3GR8
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BU of 3gr8 by Molmil
Structure of OYE from Geobacillus kaustophilus, orthorhombic crystal form
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase, ...
Authors:Uhl, M.K, Gruber, K.
Deposit date:2009-03-25
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Old Yellow Enzyme-Catalyzed Dehydrogenation of Saturated Ketones
ADV.SYNTH.CATAL., 353, 2011
3GSY
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BU of 3gsy by Molmil
Structure of berberine bridge enzyme in complex with dehydroscoulerine
Descriptor: 2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Winkler, A, Macheroux, P, Gruber, K.
Deposit date:2009-03-27
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Berberine bridge enzyme catalyzes the six electron oxidation of (S)-reticuline to dehydroscoulerine.
Phytochemistry, 70, 2009
3JV7
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BU of 3jv7 by Molmil
Structure of ADH-A from Rhodococcus ruber
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, ADH-A, ...
Authors:Karabec, M, Lyskowski, A, Gruber, K.
Deposit date:2009-09-16
Release date:2010-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into substrate specificity and solvent tolerance in alcohol dehydrogenase ADH-'A' from Rhodococcus ruber DSM 44541.
Chem.Commun.(Camb.), 2010
3GFR
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BU of 3gfr by Molmil
Structure of YhdA, D137L variant
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADPH-azoreductase
Authors:Staunig, N, Gruber, K.
Deposit date:2009-02-27
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:A single intersubunit salt bridge affects oligomerization and catalytic activity in a bacterial quinone reductase
Febs J., 276, 2009
3GFQ
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BU of 3gfq by Molmil
Structure of YhdA, K109L variant
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADPH-azoreductase
Authors:Staunig, N, Gruber, K.
Deposit date:2009-02-27
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.996 Å)
Cite:A single intersubunit salt bridge affects oligomerization and catalytic activity in a bacterial quinone reductase
Febs J., 276, 2009
3GFS
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BU of 3gfs by Molmil
Structure of YhdA, K109D/D137K variant
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADPH-azoreductase
Authors:Staunig, N, Gruber, K.
Deposit date:2009-02-27
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:A single intersubunit salt bridge affects oligomerization and catalytic activity in a bacterial quinone reductase
Febs J., 276, 2009
8A85
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BU of 8a85 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD134
Descriptor: Phenolic acid decarboxylase N134
Authors:Mokos, D, Schruefer, A, Gruber, K, Daniel, B.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Reconstructed ancestral sequences of bacterial phenolic acid decarboxylase show increased thermostability
To Be Published
8ADX
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BU of 8adx by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD55
Descriptor: Phenolic acid decarboxylase N55, SULFATE ION
Authors:Schruefer, A, Mokos, D, Gruber, K, Daniel, B.
Deposit date:2022-07-12
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Reconstructed ancestral sequences of bacterial phenolic acid decarboxylase show increased thermostability
To Be Published
8B30
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BU of 8b30 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD31
Descriptor: Phenolic acid decarboxylase N31
Authors:Mokos, D, Schruefer, A, Gruber, K, Daniel, B.
Deposit date:2022-09-15
Release date:2023-09-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Stability Increase of Phenolic Acid Decarboxylase by a Combination of Protein and Solvent Engineering Unlocks Applications at Elevated Temperatures.
Acs Sustain Chem Eng, 12, 2024

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PDB entries from 2024-05-29

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