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PDB: 164 results

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
5E3A
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BU of 5e3a by Molmil
Structure of human DPP3 in complex with opioid peptide leu-enkephalin
Descriptor: Dipeptidyl peptidase 3, Leu-enkephalin, MAGNESIUM ION, ...
Authors:Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
Deposit date:2015-10-02
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
5EB5
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BU of 5eb5 by Molmil
The crystal structure of almond HNL, PaHNL5 V317A, in complex with benzyl alcohol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Pavkov-Keller, T, Steinkellner, G, Gruber, K.
Deposit date:2015-10-17
Release date:2016-04-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of almond hydroxynitrile lyase isoenzyme 5 provide a rationale for the lack of oxidoreductase activity in flavin dependent HNLs.
J.Biotechnol., 235, 2016
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
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
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
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
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
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
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
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
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
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
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
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
5EGY
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BU of 5egy by Molmil
Structure of ligand free human DPP3 in closed form.
Descriptor: Dipeptidyl peptidase 3, MAGNESIUM ION, ZINC ION
Authors:Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
Deposit date:2015-10-27
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.741 Å)
Cite:Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
5EHH
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BU of 5ehh by Molmil
Structure of human DPP3 in complex with endomorphin-2.
Descriptor: Dipeptidyl peptidase 3, Endomorphin-2, MAGNESIUM ION, ...
Authors:Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
Deposit date:2015-10-28
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
5E3C
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BU of 5e3c by Molmil
Structure of human DPP3 in complex with hemorphin like opioid peptide IVYPW
Descriptor: Dipeptidyl peptidase 3, IVYPW, MAGNESIUM ION, ...
Authors:Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K.
Deposit date:2015-10-02
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.765 Å)
Cite:Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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
5MG5
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BU of 5mg5 by Molmil
A multi-component acyltransferase PhlABC from Pseudomonas protegens soaked with the monoacetylphloroglucinol (MAPG)
Descriptor: 2,4-diacetylphloroglucinol biosynthesis protein, 2,4-diacetylphloroglucinol biosynthesis protein PhlC, Hydroxymethylglutaryl-CoA synthase, ...
Authors:Pavkov-Keller, T, Schmidt, N.G, Kroutil, W, Gruber, K.
Deposit date:2016-11-20
Release date:2017-12-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.44 Å)
Cite:Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase.
Chembiochem, 20, 2019

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