1I9C
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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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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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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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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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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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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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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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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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1QJ4
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2YAS
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1CB7
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6FY4
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4V2U
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![BU of 4v2u by Molmil](/molmil-images/mine/4v2u) | Apo-structure of alpha2,3-sialyltransferase from Pasteurella dagmatis | Descriptor: | SIALYLTRANSFERASE | Authors: | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | Deposit date: | 2014-10-15 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.71 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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3ZOF
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![BU of 3zof by Molmil](/molmil-images/mine/3zof) | Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound benzene-1,4-diol | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, benzene-1,4-diol | 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 (2.15 Å) | Cite: | Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations. Nat.Commun., 5, 2014
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3ZOG
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![BU of 3zog by Molmil](/molmil-images/mine/3zog) | Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound 1-Cyclohex-2-enone | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, 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 (1.75 Å) | Cite: | Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations. Nat.Commun., 5, 2014
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3ZOE
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![BU of 3zoe by Molmil](/molmil-images/mine/3zoe) | Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound p-hydroxybenzaldehyde | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, P-HYDROXYBENZALDEHYDE | 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 (1.85 Å) | Cite: | Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations. Nat.Commun., 5, 2014
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3ZOD
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![BU of 3zod by Molmil](/molmil-images/mine/3zod) | Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound benzene-1,4-diol | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, benzene-1,4-diol | 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 (1.68 Å) | Cite: | Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations. Nat.Commun., 5, 2014
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4UU3
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![BU of 4uu3 by Molmil](/molmil-images/mine/4uu3) | Ferulic acid decarboxylase from Enterobacter sp. | Descriptor: | FERULIC ACID DECARBOXYLASE | Authors: | Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K. | Deposit date: | 2014-07-24 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases. Adv. Synth. Catal., 357, 2015
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4V38
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![BU of 4v38 by Molmil](/molmil-images/mine/4v38) | Apo-structure of alpha2,3-sialyltransferase variant 1 from Pasteurella dagmatis | Descriptor: | 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 (1.96 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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5MP4
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![BU of 5mp4 by Molmil](/molmil-images/mine/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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