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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
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
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
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
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
5D79
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BU of 5d79 by Molmil
Structure of BBE-like #28 from Arabidopsis thaliana
Descriptor: Berberine bridge enzyme-like protein, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Daniel, B, Kumar, P, Gruber, K.
Deposit date:2015-08-13
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Structure of a Berberine Bridge Enzyme-Like Enzyme with an Active Site Specific to the Plant Family Brassicaceae.
Plos One, 11, 2016
5EB4
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BU of 5eb4 by Molmil
The crystal structure of almond HNL, PaHNL5 V317A, expressed in Aspergillus niger
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:2024-01-10
Method:X-RAY DIFFRACTION (2.3 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
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
5E2Q
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BU of 5e2q by Molmil
Structure of human DPP3 in complex with angiotensin-II
Descriptor: Dipeptidyl peptidase 3, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Kumar, P, Reisinger, M, Reithofer, V, Gruber, K.
Deposit date:2015-10-01
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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:2024-01-10
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
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
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
4J2P
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BU of 4j2p by Molmil
Crystal structure of LuxF from Photobacterium leiognathi
Descriptor: Non-fluorescent flavoprotein
Authors:Winkler, A, Macheroux, P, Gruber, K.
Deposit date:2013-02-05
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and biochemical properties of LuxF from Photobacterium leiognathi.
Biochim. Biophys. Acta, 1854, 2015
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
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
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
4K20
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BU of 4k20 by Molmil
Crystal structure of Canavalia boliviana lectin
Descriptor: CALCIUM ION, Canavalia boliviana lectin, MANGANESE (II) ION
Authors:Viertlmayr, R, Bezerra, G.A, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K.
Deposit date:2013-04-07
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
4K1Z
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BU of 4k1z by Molmil
Crystal structure of Canavalia boliviana lectin in complex with Man1-4Man-OMe
Descriptor: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Bezerra, G.A, Viertlmayr, R, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K.
Deposit date:2013-04-07
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
4KE8
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BU of 4ke8 by Molmil
Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with monopalmitoyl glycerol analogue
Descriptor: Thermostable monoacylglycerol lipase, tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate
Authors:Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M.
Deposit date:2013-04-25
Release date:2013-09-18
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
4K83
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BU of 4k83 by Molmil
Crystal structure of lv-ranaspumin (Lv-RSN-1) from the foam nest of Leptodactylus vastus, orthorhombic crystal form
Descriptor: Lv-ranaspumin (Lv-RSN-1)
Authors:Hissa, D.C, Bezerra, G.A, Melo, V.M.M, Gruber, K.
Deposit date:2013-04-17
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unique Crystal Structure of a Novel Surfactant Protein from the Foam Nest of the Frog Leptodactylus vastus.
Chembiochem, 15, 2014
4K1Y
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BU of 4k1y by Molmil
Crystal structure of Canavalia boliviana lectin in complex with Man1-3Man-OMe
Descriptor: CADMIUM ION, CALCIUM ION, Canavalia boliviana lectin, ...
Authors:Bezerra, G.A, Viertlmayr, R, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K.
Deposit date:2013-04-07
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
4K21
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BU of 4k21 by Molmil
Crystal structure of Canavalia boliviana lectin in complex with Xman
Descriptor: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Canavalia boliviana lectin, ...
Authors:Bezerra, G.A, Moura, T.R, Viertlmayr, R, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S.
Deposit date:2013-04-07
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014

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