15C8
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![BU of 15c8 by Molmil](/molmil-images/mine/15c8) | CATALYTIC ANTIBODY 5C8, FREE FAB | Descriptor: | IGG 5C8 FAB (HEAVY CHAIN), IGG 5C8 FAB (LIGHT CHAIN) | Authors: | Gruber, K, Wilson, I.A. | Deposit date: | 1998-03-18 | Release date: | 1999-03-23 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand-Induced Conformational Changes in a Catalytic Antibody: Comparison of the Bound and Unbound Structure of Fab 5C8 To be Published
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1YB6
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1YB7
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![BU of 1yb7 by Molmil](/molmil-images/mine/1yb7) | Hydroxynitrile lyase from hevea brasiliensis in complex with 2,3-dimethyl-2-hydroxy-butyronitrile | Descriptor: | (S)-2-HYDROXY-2,3-DIMETHYLBUTANENITRILE, (S)-acetone-cyanohydrin lyase, SULFATE ION | Authors: | Gruber, K, Gartler, G, Kratky, C. | Deposit date: | 2004-12-20 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural determinants of the enantioselectivity of the hydroxynitrile lyase from Hevea brasiliensis J.Biotechnol., 129, 2007
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1SCI
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![BU of 1sci by Molmil](/molmil-images/mine/1sci) | K236L mutant of hydroxynitrile lyase from Hevea brasiliensis | Descriptor: | (S)-acetone-cyanohydrin lyase, SULFATE ION | Authors: | Gruber, K, Gartler, G, Krammer, B, Schwab, H, Kratky, C. | Deposit date: | 2004-02-12 | Release date: | 2004-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Reaction mechanism of hydroxynitrile lyases of the alpha/beta-hydrolase superfamily: the three-dimensional structure of the transient enzyme-substrate complex certifies the crucial role of LYS236 J.Biol.Chem., 279, 2004
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1SCK
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![BU of 1sck by Molmil](/molmil-images/mine/1sck) | K236L mutant of hydroxynitrile lyase from Hevea brasiliensis in complex with acetone | Descriptor: | (S)-acetone-cyanohydrin lyase, ACETONE, SULFATE ION | Authors: | Gruber, K, Gartler, G, Krammer, B, Schwab, H, Kratky, C. | Deposit date: | 2004-02-12 | Release date: | 2004-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Reaction mechanism of hydroxynitrile lyases of the alpha/beta-hydrolase superfamily: the three-dimensional structure of the transient enzyme-substrate complex certifies the crucial role of LYS236 J.Biol.Chem., 279, 2004
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1SCQ
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![BU of 1scq by Molmil](/molmil-images/mine/1scq) | K236L mutant of hydroxynitrile lyase from Hevea brasiliensis in complex with acetonecyanohydrin | Descriptor: | (S)-acetone-cyanohydrin lyase, 2-HYDROXY-2-METHYLPROPANENITRILE, SULFATE ION | Authors: | Gruber, K, Gartler, G, Krammer, B, Schwab, H, Kratky, C. | Deposit date: | 2004-02-12 | Release date: | 2004-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Reaction mechanism of hydroxynitrile lyases of the alpha/beta-hydrolase superfamily: the three-dimensional structure of the transient enzyme-substrate complex certifies the crucial role of LYS236 J.Biol.Chem., 279, 2004
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1SC9
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![BU of 1sc9 by Molmil](/molmil-images/mine/1sc9) | Hydroxynitrile Lyase from Hevea brasiliensis in complex with the natural substrate acetone cyanohydrin | Descriptor: | (S)-acetone-cyanohydrin lyase, 2-HYDROXY-2-METHYLPROPANENITRILE, SULFATE ION | Authors: | Gruber, K, Gartler, G, Krammer, B, Schwab, H, Kratky, C. | Deposit date: | 2004-02-12 | Release date: | 2004-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reaction mechanism of hydroxynitrile lyases of the alpha/beta-hydrolase superfamily: the three-dimensional structure of the transient enzyme-substrate complex certifies the crucial role of LYS236 J.Biol.Chem., 279, 2004
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1I9C
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1CB7
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![BU of 1cb7 by Molmil](/molmil-images/mine/1cb7) | |
6FY4
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35C8
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![BU of 35c8 by Molmil](/molmil-images/mine/35c8) | CATALYTIC ANTIBODY 5C8, FAB-INHIBITOR COMPLEX | Descriptor: | IGG 5C8, N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE | Authors: | Gruber, K, Wilson, I.A. | Deposit date: | 1998-03-18 | Release date: | 1999-03-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for antibody catalysis of a disfavored ring closure reaction. Biochemistry, 38, 1999
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25C8
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![BU of 25c8 by Molmil](/molmil-images/mine/25c8) | CATALYTIC ANTIBODY 5C8, FAB-HAPTEN COMPLEX | Descriptor: | IGG 5C8, N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION | Authors: | Gruber, K, Wilson, I.A. | Deposit date: | 1998-03-18 | Release date: | 1999-03-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for antibody catalysis of a disfavored ring closure reaction. Biochemistry, 38, 1999
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6H9F
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![BU of 6h9f by Molmil](/molmil-images/mine/6h9f) | Structure of glutamate mutase reconstituted with bishomo-coenzyme B12 | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol, COBALAMIN, D(-)-TARTARIC ACID, ... | Authors: | Gruber, K, Csitkovits, V, Kratky, C. | Deposit date: | 2018-08-03 | Release date: | 2019-08-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Demystification of Radical Catalysis by a Coenzyme B 12 Dependent Enzyme-Crystallographic Study of Glutamate Mutase with Cofactor Homologues. Angew.Chem.Int.Ed.Engl., 61, 2022
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6H9E
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![BU of 6h9e by Molmil](/molmil-images/mine/6h9e) | Structure of glutamate mutase reconstituted with homo-coenzyme B12 | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, COBALAMIN, D(-)-TARTARIC ACID, ... | Authors: | Gruber, K, Csitkovits, V, Kratky, C. | Deposit date: | 2018-08-03 | Release date: | 2019-08-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-Based Demystification of Radical Catalysis by a Coenzyme B 12 Dependent Enzyme-Crystallographic Study of Glutamate Mutase with Cofactor Homologues. Angew.Chem.Int.Ed.Engl., 61, 2022
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1YNA
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![BU of 1yna by Molmil](/molmil-images/mine/1yna) | ENDO-1,4-BETA-XYLANASE, ROOM TEMPERATURE, PH 4.0 | Descriptor: | ENDO-1,4-BETA-XYLANASE | Authors: | Gruber, K, Kratky, C. | Deposit date: | 1996-08-22 | Release date: | 1997-02-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Thermophilic xylanase from Thermomyces lanuginosus: high-resolution X-ray structure and modeling studies. Biochemistry, 37, 1998
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2YAS
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4V3B
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![BU of 4v3b by Molmil](/molmil-images/mine/4v3b) | The structure of alpha2,3-sialyltransferase variant 1 from Pasteurella dagmatis in complex with the donor product CMP | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, SIALYLTRANSFERASE | Authors: | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | Deposit date: | 2014-10-17 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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8OIM
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4UXA
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![BU of 4uxa by Molmil](/molmil-images/mine/4uxa) | Improved variant of (R)-selective manganese-dependent hydroxynitrile lyase from bacteria | Descriptor: | CUPIN 2 CONSERVED BARREL DOMAIN PROTEIN, MANGANESE (II) ION | Authors: | Pavkov-Keller, T, Wiedner, R, Kothbauer, B, Gruber-Khadjawi, M, Schwab, H, Steiner, K, Gruber, K. | Deposit date: | 2014-08-21 | Release date: | 2015-01-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Improving the Properties of Bacterial R-Selective Hydroxynitrile Lyases for Industrial Applications Chemcatchem, 2015
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4FQF
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4FR8
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![BU of 4fr8 by Molmil](/molmil-images/mine/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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8C66
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4FQD
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3D2J
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![BU of 3d2j by Molmil](/molmil-images/mine/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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3ZOH
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![BU of 3zoh by Molmil](/molmil-images/mine/3zoh) | Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound 1-Cyclohex-2-enone | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, cyclohex-2-en-1-one | Authors: | Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K. | Deposit date: | 2013-02-21 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations. Nat.Commun., 5, 2014
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