7LQU
 
 | | Crystal Structure of HIV-1 RT in Complex with NBD-14075 | | Descriptor: | Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ... | | Authors: | Losada, N, Ruiz, F.X, Gruber, K, Das, K, Arnold, E. | | Deposit date: | 2021-02-15 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
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4WJL
 | | 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
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6EZD
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4ZWN
 | | 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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4ZXF
 | | Crystal Structure of a Soluble Variant of Monoglyceride Lipase from Saccharomyces Cerevisiae in Complex with a Substrate Analog | | Descriptor: | 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium, Monoglyceride lipase, NITRATE ION, ... | | Authors: | Aschauer, P, Lichtenegger, J, Rengachari, S, Gruber, K, Oberer, M. | | Deposit date: | 2015-05-20 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
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6GHW
 | | Substituting the prolines of 4-oxalocrotonate tautomerase with non-canonical analogue (2S)-3,4-dehydroproline | | Descriptor: | 2-hydroxymuconate tautomerase, CALCIUM ION | | Authors: | Pavkov-Keller, T, Lukesch, M.S, Wiltschi, B, Gruber, K. | | Deposit date: | 2018-05-09 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Substituting the catalytic proline of 4-oxalocrotonate tautomerase with non-canonical analogues reveals a finely tuned catalytic system.
Sci Rep, 9, 2019
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4FQF
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4FR8
 | | 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
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1JU2
 | | 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
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4BIF
 | | Biochemical and structural characterisation of a novel manganese- dependent hydroxynitrile lyase from bacteria | | Descriptor: | CUPIN 2 CONSERVED BARREL DOMAIN PROTEIN, MANGANESE (II) ION | | Authors: | Hajnal, I, Lyskowski, A, Hanefeld, U, Gruber, K, Schwab, H, Steiner, K. | | Deposit date: | 2013-04-10 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Biochemical and Structural Characterisation of a Novel Bacterial Manganese-Dependent Hydroxynitrile Lyase.
FEBS J., 280, 2013
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5E4M
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5E4B
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5E46
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5E4D
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3AX4
 | | Three-dimensional structure of lectin from Dioclea violacea and comparative vasorelaxant effects with Dioclea rostrata | | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Bezerra, M.J.B, Bezerra, G.A, Martins, J.L, Nascimento, K.S, Nagano, C.S, Gruber, K, Assereuy, A.M, Delatorre, P, Rocha, B.A.M, Cavada, B.S. | | Deposit date: | 2011-03-29 | | Release date: | 2012-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.613 Å) | | Cite: | Crystal structure of Dioclea violacea lectin and a comparative study of vasorelaxant properties with Dioclea rostrata lectin
Int.J.Biochem.Cell Biol., 45, 2013
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5K3W
 | | 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
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1CCW
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6FRI
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5NY5
 | | 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
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6GG2
 | | 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
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5MP4
 | | 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
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4CET
 | | 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
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4CF6
 | | 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
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5MG5
 | | 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: | 2024-01-17 | | 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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5A4K
 | | 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
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