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15C8
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BU of 15c8 by Molmil
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
1SCQ
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BU of 1scq by Molmil
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
1SC9
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BU of 1sc9 by Molmil
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
1SCK
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BU of 1sck by Molmil
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
1SCI
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BU of 1sci by Molmil
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
1I9C
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BU of 1i9c by Molmil
GLUTAMATE MUTASE FROM CLOSTRIDIUM COCHLEARIUM: COMPLEX WITH ADENOSYLCOBALAMIN AND SUBSTRATE
Descriptor: (2S,3S)-3-methyl-aspartic acid, 5'-DEOXYADENOSINE, COBALAMIN, ...
Authors:Gruber, K, Kratky, C.
Deposit date:2001-03-19
Release date:2002-03-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Radical Shuttling in a Protein: Ribose Pseudorotation Controls Alkyl-Radical Transfer in the Coenzyme B(12) Dependent Enzyme Glutamate Mutase
Angew.Chem.Int.Ed.Engl., 40, 2001
35C8
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BU of 35c8 by Molmil
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:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for antibody catalysis of a disfavored ring closure reaction.
Biochemistry, 38, 1999
25C8
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BU of 25c8 by Molmil
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:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for antibody catalysis of a disfavored ring closure reaction.
Biochemistry, 38, 1999
1YNA
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BU of 1yna by Molmil
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
6H9F
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BU of 6h9f by Molmil
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
6H9E
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BU of 6h9e by Molmil
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
1CB7
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BU of 1cb7 by Molmil
GLUTAMATE MUTASE FROM CLOSTRIDIUM COCHLEARIUM RECONSTITUTED WITH METHYL-COBALAMIN
Descriptor: CO-METHYLCOBALAMIN, D(-)-TARTARIC ACID, PROTEIN (GLUTAMATE MUTASE)
Authors:Gruber, K, Reitzer, R, Kratky, C.
Deposit date:1999-03-03
Release date:2000-02-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Glutamate mutase from Clostridium cochlearium: the structure of a coenzyme B12-dependent enzyme provides new mechanistic insights.
Structure Fold.Des., 7, 1999
1YB6
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BU of 1yb6 by Molmil
Hydroxynitrile lyase from hevea brasiliensis in complex with mandelonitrile
Descriptor: (S)-MANDELIC ACID NITRILE, (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 (1.54 Å)
Cite:Structural determinants of the enantioselectivity of the hydroxynitrile lyase from Hevea brasiliensis
J.Biotechnol., 129, 2007
1YB7
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BU of 1yb7 by Molmil
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
1QJ4
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BU of 1qj4 by Molmil
HYDROXYNITRILE-LYASE FROM HEVEA BRASILIENSIS AT ATOMIC RESOLUTION
Descriptor: GLYCEROL, HYDROXYNITRILE LYASE, SULFATE ION
Authors:Gugganig, M, Gruber, K, Kratky, C.
Deposit date:1999-06-21
Release date:1999-10-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic Resolution Crystal Structure of Hydroxynitrile Lyase from Hevea Brasiliensis
Biol.Chem., 380, 1999
6FY4
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BU of 6fy4 by Molmil
Structure of human NAD(P) H:quinone oxidoreductase in complex with N-(2-bromophenyl)pyrrolidine-1-sulfonamide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-(2-bromophenyl)pyrrolidine-1-sulfonamide, NAD(P)H dehydrogenase [quinone] 1
Authors:Gruber, K, Hromic, A.
Deposit date:2018-03-10
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:A small molecule chaperone rescues the stability and activity of a cancer-associated variant of NAD(P)H:quinone oxidoreductase 1 in vitro.
Febs Lett., 594, 2020
2YAS
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BU of 2yas by Molmil
HYDROXYNITRILE LYASE FROM HEVEA BRASILIENSIS COMPLEXED WITH RHODANIDE
Descriptor: PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION, THIOCYANATE ION
Authors:Gruber, K, Gugganig, M, Kratky, C.
Deposit date:1999-03-11
Release date:1999-10-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
8ACS
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BU of 8acs by Molmil
Crystal structure of FMO from Janthinobacterium svalbardensis
Descriptor: DI(HYDROXYETHYL)ETHER, FAD-dependent oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Polidori, N, Galuska, P, Gruber, K.
Deposit date:2022-07-06
Release date:2022-09-07
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Cold-Active Flavin-Dependent Monooxygenase from Janthinobacterium svalbardensis Unlocks Applications of Baeyer-Villiger Monooxygenases at Low Temperature.
Acs Catalysis, 13, 2023
8A85
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BU of 8a85 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD134
Descriptor: Phenolic acid decarboxylase N134
Authors:Mokos, D, Schruefer, A, Gruber, K, Daniel, B.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Reconstructed ancestral sequences of bacterial phenolic acid decarboxylase show increased thermostability
To Be Published
4UU3
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BU of 4uu3 by Molmil
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
1CCW
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BU of 1ccw by Molmil
STRUCTURE OF THE COENZYME B12 DEPENDENT ENZYME GLUTAMATE MUTASE FROM CLOSTRIDIUM COCHLEARIUM
Descriptor: CYANOCOBALAMIN, D(-)-TARTARIC ACID, PROTEIN (GLUTAMATE MUTASE)
Authors:Reitzer, R, Gruber, K, Kratky, C.
Deposit date:1999-03-01
Release date:2000-03-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Glutamate mutase from Clostridium cochlearium: the structure of a coenzyme B12-dependent enzyme provides new mechanistic insights
Structure Fold.Des., 7, 1999
4V39
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BU of 4v39 by Molmil
Apo-structure of alpha2,3-sialyltransferase variant 2 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 (2.6 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
4V3B
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BU of 4v3b by Molmil
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
4V3C
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BU of 4v3c by Molmil
The structure of alpha2,3-sialyltransferase variant 2 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 (1.84 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
4V38
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BU of 4v38 by Molmil
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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