3D2D
| Structure of berberine bridge enzyme in complex with (S)-reticuline | Descriptor: | (S)-reticuline, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Winkler, A, Lyskowski, A, Macheroux, P, Gruber, K. | Deposit date: | 2008-05-08 | Release date: | 2008-10-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | A concerted mechanism for berberine bridge enzyme Nat.Chem.Biol., 4, 2008
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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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4UD8
| AtBBE15 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | Authors: | Daniel, B, Steiner, B, Pavkov-Keller, T, Dordic, A, Gutmann, A, Sensen, C.W, Nidetzky, B, van der Graaff, E, Wallner, S, Gruber, K, Macheroux, P. | Deposit date: | 2014-12-09 | Release date: | 2015-06-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.088 Å) | Cite: | Oxidation of Monolignols by Members of the Berberine Bridge Enzyme Family Suggests a Role in Cell Wall Metabolism. J.Biol.Chem., 290, 2015
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4UIR
| Structure of oleate hydratase from Elizabethkingia meningoseptica | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ... | Authors: | Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K. | Deposit date: | 2015-04-02 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica. Chembiochem, 16, 2015
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5EGY
| 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
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5EHH
| 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
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2YHE
| Structure determination of the stereoselective inverting sec- alkylsulfatase Pisa1 from Pseudomonas sp. | Descriptor: | SEC-ALKYL SULFATASE, SULFATE ION, ZINC ION | Authors: | Kepplinger, B, Faber, K, Macheroux, P, Schober, M, Knaus, T, Wagner, U.G. | Deposit date: | 2011-04-29 | Release date: | 2012-05-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and Mechanism of an Inverting Alkylsulfatase from Pseudomonas Sp. Dsm6611 Specific for Secondary Alkylsulfates. FEBS J., 279, 2012
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9EM6
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9EM5
| OPR3 variant Y364P in its monomeric form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 12-oxophytodienoate reductase 3, CHLORIDE ION, ... | Authors: | Bijelic, A, Macheroux, P, Kerschbaumer, B. | Deposit date: | 2024-03-07 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Analysis of homodimer formation in 12-oxophytodienoate reductase 3 in solutio and crystallo challenges the physiological role of the dimer. Sci Rep, 14, 2024
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9EM4
| OPR3 variant Y364P in its dimeric form obtained with ammonium sulfate | Descriptor: | 12-oxophytodienoate reductase 3, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ... | Authors: | Bijelic, A, Macheroux, P, Kerschbaumer, B. | Deposit date: | 2024-03-07 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Analysis of homodimer formation in 12-oxophytodienoate reductase 3 in solutio and crystallo challenges the physiological role of the dimer. Sci Rep, 14, 2024
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9EM2
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9EM3
| OPR3 wild type in its monomeric form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE | Authors: | Bijelic, A, Macheroux, P, Kerschbaumer, B. | Deposit date: | 2024-03-07 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Analysis of homodimer formation in 12-oxophytodienoate reductase 3 in solutio and crystallo challenges the physiological role of the dimer. Sci Rep, 14, 2024
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9EM0
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6EO5
| Physcomitrella patens BBE-like 1 variant D396N | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, PpBBE-like 1 D396N | Authors: | Toplak, M, Winkler, A, Macheroux, P. | Deposit date: | 2017-10-09 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The single berberine bridge enzyme homolog of Physcomitrella patens is a cellobiose oxidase. FEBS J., 285, 2018
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6EO4
| Physcomitrella patens BBE-like 1 wild-type | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, PpBBE-like 1 | Authors: | Toplak, M, Winkler, A, Macheroux, P. | Deposit date: | 2017-10-09 | Release date: | 2018-04-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The single berberine bridge enzyme homolog of Physcomitrella patens is a cellobiose oxidase. FEBS J., 285, 2018
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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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5E33
| 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
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5E3A
| 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
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5E3C
| 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
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3D2J
| Structure of berberine bridge enzyme from Eschscholzia californica, tetragonal crystal form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Winkler, A, Lyskowski, A, Macheroux, P, Gruber, K. | Deposit date: | 2008-05-08 | Release date: | 2008-10-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A concerted mechanism for berberine bridge enzyme Nat.Chem.Biol., 4, 2008
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3D2H
| Structure of berberine bridge enzyme from Eschscholzia californica, monoclinic crystal form | Descriptor: | (2R,3S,4S)-5-[(4R)-6',7'-dimethyl-2,3',5-trioxo-1'H-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'H)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Winkler, A, Lyskowski, A, Macheroux, P, Gruber, K. | Deposit date: | 2008-05-08 | Release date: | 2008-10-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A concerted mechanism for berberine bridge enzyme Nat.Chem.Biol., 4, 2008
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3CSK
| Structure of DPP III from Saccharomyces cerevisiae | Descriptor: | MAGNESIUM ION, Probable dipeptidyl-peptidase 3, ZINC ION | Authors: | Baral, P.K, Jajcanin, N, Deller, S, Macheroux, P, Abramic, M, Gruber, K. | Deposit date: | 2008-04-10 | Release date: | 2008-06-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The first structure of dipeptidyl-peptidase III provides insight into the catalytic mechanism and mode of substrate binding. J.Biol.Chem., 283, 2008
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8QN3
| OPR3 wildtype in complex with NADH4 | Descriptor: | 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ... | Authors: | Bijelic, A, Macheroux, P, Keschbaumer, B. | Deposit date: | 2023-09-25 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Loop 6 and the beta-hairpin flap are structural hotspots that determine cofactor specificity in the FMN-dependent family of ene-reductases. Febs J., 291, 2024
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8QN1
| OPR3 variant - R283D | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE | Authors: | Bijelic, A, Macheroux, P, Kerschbaumer, B. | Deposit date: | 2023-09-25 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Analysis of homodimer formation in 12-oxophytodienoate reductase 3 in solutio and crystallo challenges the physiological role of the dimer. Sci Rep, 14, 2024
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8QN9
| OPR3 variant - R283E | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ... | Authors: | Bijelic, A, Macheroux, P, Kerschbaumer, B. | Deposit date: | 2023-09-26 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Analysis of homodimer formation in 12-oxophytodienoate reductase 3 in solutio and crystallo challenges the physiological role of the dimer. Sci Rep, 14, 2024
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