4AD5
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![BU of 4ad5 by Molmil](/molmil-images/mine/4ad5) | Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-deoxymannojirimycin and alpha-1,2-mannobiose | Descriptor: | 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose, ... | Authors: | Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J. | Deposit date: | 2011-12-21 | Release date: | 2012-02-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase. Proc.Natl.Acad.Sci.USA, 109, 2012
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5MI7
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![BU of 5mi7 by Molmil](/molmil-images/mine/5mi7) | BtGH84 mutant with covalent modification by MA4 in complex with PUGNAc | Descriptor: | CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ... | Authors: | Darby, J.F, Davies, G.J, Hubbard, R.E. | Deposit date: | 2016-11-27 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
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1H4G
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![BU of 1h4g by Molmil](/molmil-images/mine/1h4g) | Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre | Descriptor: | SULFATE ION, XYLANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose | Authors: | Sabini, E, Wilson, K.S, Danielsen, S, Schulein, M, Davies, G.J. | Deposit date: | 2001-05-11 | Release date: | 2002-05-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Catalysis and Specificity in Enzymatic Glycoside Hydrolysis: A 2,5B Conformation for the Glycosyl-Enzyme Intermediate Revealed by the Structure of the Bacillus Agaradhaerens Family 11 Xylanase. Chem.Biol., 6, 1999
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5M7U
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![BU of 5m7u by Molmil](/molmil-images/mine/5m7u) | Structure of human O-GlcNAc hydrolase with new iminocyclitol type inhibitor | Descriptor: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide, Protein O-GlcNAcase | Authors: | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | Deposit date: | 2016-10-28 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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5MI4
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![BU of 5mi4 by Molmil](/molmil-images/mine/5mi4) | BtGH84 mutant with covalent modification by MA3 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | Authors: | Darby, J.F, Davies, G.J, Hubbard, R.E. | Deposit date: | 2016-11-27 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
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1GUI
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![BU of 1gui by Molmil](/molmil-images/mine/1gui) | CBM4 structure and function | Descriptor: | CALCIUM ION, GLYCEROL, LAMINARINASE 16A, ... | Authors: | Nurizzo, D, Notenboom, V, Davies, G.J. | Deposit date: | 2002-01-27 | Release date: | 2002-09-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Differential Oligosaccharide Recognition by Evolutionarily-Related Beta-1,4 and Beta-1,3 Glucan-Binding Modules J.Mol.Biol., 319, 2002
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1H5V
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![BU of 1h5v by Molmil](/molmil-images/mine/1h5v) | Thiopentasaccharide complex of the endoglucanase Cel5A from Bacillus agaradharens at 1.1 A resolution in the tetragonal crystal form | Descriptor: | CALCIUM ION, ENDOGLUCANASE 5A, SODIUM ION, ... | Authors: | Varrot, A, Sulzenbacher, G, Schulein, M, Driguez, H, Davies, G.J. | Deposit date: | 2001-05-28 | Release date: | 2002-05-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic Resolution Structure of Endoglucanase Cel5A in Complex with Methyl 4,4II,4III,4Iv-Tetrathio-Alpha-Cellopentoside Highlights the Alternative Binding Modes Targeted by Substrate Mimics Acta Crystallogr.,Sect.D, 57, 2001
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5NE5
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![BU of 5ne5 by Molmil](/molmil-images/mine/5ne5) | Crystal structure of family 47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with kifunensine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, KIFUNENSINE, ... | Authors: | Males, A, Davies, G.J. | Deposit date: | 2017-03-09 | Release date: | 2017-03-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach. Chembiochem, 18, 2017
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5NPC
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![BU of 5npc by Molmil](/molmil-images/mine/5npc) | Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with unreacted alpha Cyclophellitol Cyclosulfate probe ME647 | Descriptor: | (3~{a}~{R},4~{R},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2017-04-16 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
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4JFW
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![BU of 4jfw by Molmil](/molmil-images/mine/4jfw) | Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(propylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol | Descriptor: | (3alpha)-[3-({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene, IMIDAZOLE, SULFATE ION, ... | Authors: | Wright, D.W, Davies, G.J. | Deposit date: | 2013-02-28 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies. Chemistry, 19, 2013
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2BVD
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![BU of 2bvd by Molmil](/molmil-images/mine/2bvd) | HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A | Descriptor: | (3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside, ENDOGLUCANASE H | Authors: | Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J. | Deposit date: | 2005-06-27 | Release date: | 2005-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A. J.Biol.Chem., 280, 2005
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5M17
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![BU of 5m17 by Molmil](/molmil-images/mine/5m17) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2016-10-07 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
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4BA0
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![BU of 4ba0 by Molmil](/molmil-images/mine/4ba0) | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with 5F-alpha-GlcF | Descriptor: | 1,2-ETHANEDIOL, 5-fluoro-beta-D-glucopyranose, ALPHA-GLUCOSIDASE, ... | Authors: | Larsbrink, J, Izumi, A, Hemsworth, G.R, Davies, G.J, Brumer, H. | Deposit date: | 2012-09-09 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Enzymology of Cellvibrio Japonicus Agd31B Reveals Alpha-Transglucosylase Activity in Glycoside Hydrolase Family 31 J.Biol.Chem., 287, 2012
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4B9Y
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![BU of 4b9y by Molmil](/molmil-images/mine/4b9y) | Crystal Structure of Apo Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31 | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GLUCOSIDASE, PUTATIVE, ... | Authors: | Larsbrink, J, Izumi, A, Hemsworth, G.R, Davies, G.J, Brumer, H. | Deposit date: | 2012-09-09 | Release date: | 2012-11-14 | Last modified: | 2013-01-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Enzymology of Cellvibrio Japonicus Agd31B Reveals Alpha-Transglucosylase Activity in Glycoside Hydrolase Family 31 J.Biol.Chem., 287, 2012
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4AYR
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![BU of 4ayr by Molmil](/molmil-images/mine/4ayr) | Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with noeuromycin | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, ... | Authors: | Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J. | Deposit date: | 2012-06-21 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach. Angew.Chem.Int.Ed.Engl., 51, 2012
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4B1M
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![BU of 4b1m by Molmil](/molmil-images/mine/4b1m) | CARBOHYDRATE BINDING MODULE CBM66 FROM BACILLUS SUBTILIS | Descriptor: | LEVANASE, SODIUM ION, SULFATE ION, ... | Authors: | Cuskin, F, Flint, J.E, Morland, C, Basle, A, Henrissat, B, Countinho, P.M, Strazzulli, A, Solzehinkin, A, Davies, G.J, Gilbert, H.J, Gloster, T.M. | Deposit date: | 2012-07-11 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | How Nature Can Exploit Nonspecific Catalytic and Carbohydrate Binding Modules to Create Enzymatic Specificity Proc.Natl.Acad.Sci.USA, 109, 2012
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1H7L
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![BU of 1h7l by Molmil](/molmil-images/mine/1h7l) | dTDP-MAGNESIUM COMPLEX OF SPSA FROM BACILLUS SUBTILIS | Descriptor: | MAGNESIUM ION, SPORE COAT POLYSACCHARIDE BIOSYNTHESIS PROTEIN SPSA, THYMIDINE-5'-DIPHOSPHATE | Authors: | Tarbouriech, N, Charnock, S.J, Davies, G.J. | Deposit date: | 2001-07-09 | Release date: | 2001-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Three-Dimensional Structures of the Mn and Mg Dtdp Complexes of the Family Gt-2 Glycosyltransferase Spsa: A Comparison with Related Ndp-Sugar Glycosyltransferases. J.Mol.Biol., 314, 2001
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3ZSE
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![BU of 3zse by Molmil](/molmil-images/mine/3zse) | 3D Structure of a thermophilic family GH11 xylanase from Thermobifida fusca | Descriptor: | 1,2-ETHANEDIOL, ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose | Authors: | Lammerts van Bueren, A, Otani, S, Friis, E.P, S Wilson, K, Davies, G.J. | Deposit date: | 2011-06-27 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Three-Dimensional Structure of a Thermophilic Family Gh11 Xylanase from Thermobifida Fusca. Acta Crystallogr.,Sect.F, 68, 2012
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5NBP
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![BU of 5nbp by Molmil](/molmil-images/mine/5nbp) | Bacteroides ovatus mixed linkage glucan PUL (MLGUL) GH16 in complex with G4G4G3G Product | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ... | Authors: | Hemsworth, G.R, Tamura, K, Dejean, G, Rogers, T.E, Pudlo, N.A, Urs, K, Jain, N, Martens, E.C, Brumer, H, Davies, G.J. | Deposit date: | 2017-03-02 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Mechanism by which Prominent Human Gut Bacteroidetes Utilize Mixed-Linkage Beta-Glucans, Major Health-Promoting Cereal Polysaccharides. Cell Rep, 21, 2017
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1H7Q
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![BU of 1h7q by Molmil](/molmil-images/mine/1h7q) | dTDP-MANGANESE COMPLEX OF SPSA FROM BACILLUS SUBTILIS | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, SPORE COAT POLYSACCHARIDE BIOSYNTHESIS PROTEIN SPSA, ... | Authors: | Tarbouriech, N, Charnock, S.J, Davies, G.J. | Deposit date: | 2001-07-09 | Release date: | 2001-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-Dimensional Structures of the Mn and Mg Dtdp Complexes of the Family Gt-2 Glycosyltransferase Spsa: A Comparison with Related Ndp-Sugar Glycosyltransferases. J.Mol.Biol., 314, 2001
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1GXO
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![BU of 1gxo by Molmil](/molmil-images/mine/1gxo) | Mutant D189A of Family 10 polysaccharide lyase from Cellvibrio cellulosa in complex with trigalaturonic acid | Descriptor: | CALCIUM ION, PECTATE LYASE, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid | Authors: | Charnock, S.J, Brown, I.E, Turkenburg, J.P, Black, G.W, Davies, G.J. | Deposit date: | 2002-04-08 | Release date: | 2002-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Convergent Evolution Sheds Light on the Anti-Beta-Elimination Mechanism Common to Family 1 and 10 Polysaccharide Lyases Proc.Natl.Acad.Sci.USA, 99, 2002
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5NBO
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![BU of 5nbo by Molmil](/molmil-images/mine/5nbo) | Bacteroides ovatus mixed linkage glucan PUL (MLGUL) GH16 | Descriptor: | 1,2-ETHANEDIOL, Glycosyl hydrolase family 16 | Authors: | Hemsworth, G.R, Tamura, K, Dejean, G, Rogers, T.E, Pudlo, N.A, Urs, K, Jain, N, Martens, E.C, Brumer, H, Davies, G.J. | Deposit date: | 2017-03-02 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Mechanism by which Prominent Human Gut Bacteroidetes Utilize Mixed-Linkage Beta-Glucans, Major Health-Promoting Cereal Polysaccharides. Cell Rep, 21, 2017
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1GW1
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![BU of 1gw1 by Molmil](/molmil-images/mine/1gw1) | Substrate distortion by beta-mannanase from Pseudomonas cellulosa | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINITROPHENYLENE, MANNAN ENDO-1,4-BETA-MANNOSIDASE, ... | Authors: | Ducros, V, Zechel, D.L, Gilbert, H.J, Szabo, L, Withers, S.G, Davies, G.J. | Deposit date: | 2002-03-01 | Release date: | 2002-09-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Substrate Distortion by a Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest a B2,5 Conformation for the Transition State Angew.Chem.Int.Ed.Engl., 41, 2002
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1H4H
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![BU of 1h4h by Molmil](/molmil-images/mine/1h4h) | Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre | Descriptor: | XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose | Authors: | Sabini, E, Wilson, K.S, Danielsen, S, Schulein, M, Davies, G.J. | Deposit date: | 2001-05-11 | Release date: | 2002-05-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalysis and Specificity in Enzymatic Glycoside Hydrolysis: A 2,5B Conformation for the Glycosyl-Enzyme Intermediate Revealed by the Structure of the Bacillus Agaradhaerens Family 11 Xylanase. Chem.Biol., 6, 1999
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1H41
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![BU of 1h41 by Molmil](/molmil-images/mine/1h41) | Pseudomonas cellulosa E292A alpha-D-glucuronidase mutant complexed with aldotriuronic acid | Descriptor: | 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid, ALPHA-GLUCURONIDASE, ... | Authors: | Nurizzo, D, Nagy, T, Gilbert, H.J, Davies, G.J. | Deposit date: | 2002-09-25 | Release date: | 2003-05-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Alpha-Glucuronidase,Glca67A,of Cellvibrio Japonicus Utilizes the Carboxylate and Methyl Groups of Aldobiouronic Acid as Important Substrate Recognition Determinants J.Biol.Chem., 278, 2003
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