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PDB: 159 results

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
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
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
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
5A4K
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BU of 5a4k by Molmil
Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
Authors:Lienhart, W.D, Strandback, E, Gudipati, V, Uhl, M.K, Rantase, D.M, Zangger, K, Gruber, K, Macheroux, P.
Deposit date:2015-06-10
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Catalytic competence, structure and stability of the cancer-associated R139W variant of the human NAD(P)H:quinone oxidoreductase 1 (NQO1).
FEBS J., 284, 2017
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
5A2G
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BU of 5a2g by Molmil
An esterase from anaerobic Clostridium hathewayi can hydrolyze aliphatic aromatic polyesters
Descriptor: CARBOXYLIC ESTER HYDROLASE, PHOSPHATE ION
Authors:Hromic, A, Pavkov Keller, T, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Zankel, A, Mayrhofer, C, Sinkel, C, Kueper, U, Schlegel, K.A, Ribitsch, D, Guebitz, G.M.
Deposit date:2015-05-19
Release date:2016-02-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:An Esterase from Anaerobic Clostridium Hathewayi Can Hydrolyze Aliphatic-Aromatic Polyesters.
Environ.Sci.Tech., 50, 2016
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
5AH1
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BU of 5ah1 by Molmil
Structure of EstA from Clostridium botulinum
Descriptor: POTASSIUM ION, TRIACYLGLYCEROL LIPASE, ZINC ION
Authors:Pairitsch, A, Lyskowski, A, Hromic, A, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Sinkel, C, Kueper, U, Ribitsch, D, Guebitz, G.M.
Deposit date:2015-02-04
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Hydrolysis of Synthetic Polyesters by Clostridium Botulinum Esterases.
Biotechnol.Bioeng., 113, 2016
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
5M3K
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BU of 5m3k by Molmil
A multi-component acyltransferase PhlABC from Pseudomonas protegens
Descriptor: 2,4-diacetylphloroglucinol biosynthesis protein PhlB, 2,4-diacetylphloroglucinol biosynthesis protein PhlC, PhlA, ...
Authors:Pavkov-Keller, T, Schmidt, N.G, Kroutil, W, Gruber, K.
Deposit date:2016-10-15
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase.
Chembiochem, 20, 2019
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
5AH0
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BU of 5ah0 by Molmil
STRUCTURE OF LIPASE 1 FROM PELOSINUS FERMENTANS
Descriptor: DI(HYDROXYETHYL)ETHER, LIPASE, POTASSIUM ION, ...
Authors:Hromic, A, Gruber, K, Biundo, A, Ribitsch, D, Quartinello, F, Perz, V, Arrell, M.S, Kalman, F, Guebitz, G.M.
Deposit date:2015-02-04
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterization of a Poly(Butylene Adipate-Co-Terephthalate)-Hydrolyzing Lipase from Pelosinus Fermentans.
Appl.Microbiol.Biotechnol., 100, 2016
8AUL
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BU of 8aul by Molmil
OPR3 Y190F in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 12-oxophytodienoate reductase 3, 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
8AUO
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BU of 8auo by Molmil
OPR3 Y370F variant in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 12-oxophytodienoate reductase 3, 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, 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 (1.58 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUF
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BU of 8auf by Molmil
XenA Y183F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ...
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
8AUQ
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BU of 8auq by Molmil
OPR3 Y370F 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 (1.42 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
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
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
5E33
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BU of 5e33 by Molmil
Structure of human DPP3 in complex with met-enkephalin
Descriptor: Dipeptidyl peptidase 3, MAGNESIUM ION, Met-enkephalin, ...
Authors:Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
Deposit date:2015-10-01
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016

220472

數據於2024-05-29公開中

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