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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2BM3
| Structure of the Type II cohesin from Clostridium thermocellum SdbA | Descriptor: | ISOPROPYL ALCOHOL, SCAFFOLDING DOCKERIN BINDING PROTEIN A | Authors: | Carvalho, A.L, Gloster, T.M, Pires, V.M.R, Proctor, M.R, Prates, J.A.M, Ferreira, L.M.A, Turkenburg, J.P, Romao, M.J, Davies, G.J, Gilbert, H.J, Fontes, C.M.G.A. | Deposit date: | 2005-03-09 | Release date: | 2005-03-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights Into the Structural Determinants of Cohesin-Dockerin Specificity Revealed by the Crystal Structure of the Type II Cohesin from Clostridium Thermocellum Sdba. J.Mol.Biol., 349, 2005
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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: | 2024-10-16 | 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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6FAM
| Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-2-aminodeoxymannojirimycin | Descriptor: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose, ... | Authors: | Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. | Deposit date: | 2017-12-15 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases. Chemistry, 24, 2018
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6F92
| Structure of the family GH92 alpha-mannosidase BT3965 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI) | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | Deposit date: | 2017-12-13 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif. Acta Crystallogr D Struct Biol, 74, 2018
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6FAR
| Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-mannoimidazole | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Glycosyl hydrolase family 71, alpha-D-mannopyranose | Authors: | Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. | Deposit date: | 2017-12-16 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases. Chemistry, 24, 2018
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5MSZ
| Lytic Polysaccharide Monooxygenase AA15 from Thermobia domestica in the Cu(I) State | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, Thermobia domestica domestica AA15 | Authors: | Hemsworth, G.R, Sabbadin, F, Ciano, L, Henrissat, B, Dupree, P, Tryfona, T, Besser, K, Elias, L, Pesante, G, Li, Y, Dowle, A, Bates, R, Gomez, L, Hallam, R, Davies, G.J, Walton, P.H, Bruce, N.C, McQueen-Mason, S. | Deposit date: | 2017-01-06 | Release date: | 2018-02-28 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion. Nat Commun, 9, 2018
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6FHN
| Structural dynamics and catalytic properties of a multi-modular xanthanase (Pt derivative) | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Moroz, O.V, Jensen, P.F, McDonald, S.P, McGregor, N, Blagova, E, Comamala, G, Segura, D.R, Anderson, L, Vasu, S.M, Rao, V.P, Giger, L, Monrad, R.N, Svendsen, A, Nielsen, J.E, Henrissat, B, Davies, G.J, Brumer, H, Rand, K, Wilson, K.S. | Deposit date: | 2018-01-15 | Release date: | 2018-08-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase Acs Catalysis, 2018
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6F91
| Structure of the family GH92 alpha-mannosidase BT3965 from Bacteroides thetaiotaomicron | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | Deposit date: | 2017-12-13 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif. Acta Crystallogr D Struct Biol, 74, 2018
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6F8Z
| Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,2-mannosidase, putative, ... | Authors: | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | Deposit date: | 2017-12-13 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif. Acta Crystallogr D Struct Biol, 74, 2018
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2C3F
| The structure of a group A streptococcal phage-encoded tail-fibre showing hyaluronan lyase activity. | Descriptor: | HYALURONIDASE, PHAGE ASSOCIATED, SODIUM ION | Authors: | Taylor, E.J, Smith, N.L, Linsay, A.-M, Charnock, S.J, Turkenburg, J.P, Dodson, E.J, Davies, G.J, Black, G.W. | Deposit date: | 2005-10-06 | Release date: | 2005-11-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure of a Group a Streptococcal Phage-Encoded Virulence Factor Reveals Catalytically Active Triple-Stranded Beta-Helix Proc.Natl.Acad.Sci.USA, 102, 2005
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5NPE
| Crystal Structure of cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with beta Cyclophellitol Aziridine probe KY358 | Descriptor: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2017-04-16 | Release date: | 2017-08-09 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
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6G09
| Crystal Structure of a GH8 xylobiose complex from Teredinibacter turnerae | Descriptor: | 1,2-ETHANEDIOL, Glycoside hydrolase family 8 domain protein, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Fowler, C.A, Davies, G.J, Walton, P.H. | Deposit date: | 2018-03-16 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae. Acta Crystallogr D Struct Biol, 74, 2018
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2CDO
| structure of agarase carbohydrate binding module in complex with neoagarohexaose | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE 1, ... | Authors: | Henshaw, J, Horne, A, Van Bueren, A.L, Money, V.A, Bolam, D.N, Czjzek, M, Weiner, R.M, Hutcheson, S.W, Davies, G.J, Boraston, A.B, Gilbert, H.J. | Deposit date: | 2006-01-25 | Release date: | 2006-02-16 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Family 6 Carbohydrate Binding Modules in Beta-Agarases Display Exquisite Selectivity for the Non- Reducing Termini of Agarose Chains. J.Biol.Chem., 281, 2006
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6G1I
| GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and fructosylated cellopentaose | Descriptor: | Glycosyl Hydrolase, MALONIC ACID, MANGANESE (II) ION, ... | Authors: | Urresti, S, Davies, G.J, Walton, P.H. | Deposit date: | 2018-03-21 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Structural studies of the unusual metal-ion site of the GH124 endoglucanase from Ruminiclostridium thermocellum. Acta Crystallogr F Struct Biol Commun, 74, 2018
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2CN3
| Crystal Structures of Clostridium thermocellum Xyloglucanase | Descriptor: | BETA-1,4-XYLOGLUCAN HYDROLASE, CALCIUM ION, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Martinez-Fleites, C, Taylor, E.J, Guerreiro, C.I.P.D, Prates, J.A.M, Ferreira, L.M.A, Fontes, C.M.G.A, Baumann, M.J, Brumer, H, Davies, G.J. | Deposit date: | 2006-05-17 | Release date: | 2006-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of Clostridium Thermocellum Xyloglucanase, Xgh74A, Reveal the Structural Basis for Xyloglucan Recognition and Degradation J.Biol.Chem., 281, 2006
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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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6G00
| Crystal Structure of a GH8 xylanase from Teredinibacter turnerae | Descriptor: | 1,2-ETHANEDIOL, Glycoside hydrolase family 8 domain protein, SODIUM ION | Authors: | Fowler, C.A, Davies, G.J, Walton, P.H. | Deposit date: | 2018-03-15 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae. Acta Crystallogr D Struct Biol, 74, 2018
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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
| 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: | 2024-10-16 | 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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2BKX
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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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6FRV
| Structure of the catalytic domain of Aspergillus niger Glucoamylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucoamylase, ... | Authors: | Roth, C, Moroz, O.V, Ariza, A, Friis, E.P, Davies, G.J, Wilson, K.S. | Deposit date: | 2018-02-16 | Release date: | 2018-05-09 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains. Acta Crystallogr D Struct Biol, 74, 2018
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5NPB
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6G21
| Crystal structure of an esterase from Aspergillus oryzae | 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-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | Authors: | Moroz, O.V, Blagova, E, Davies, G.J, Wilson, K.S. | Deposit date: | 2018-03-22 | Release date: | 2018-05-23 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of an esterase from Aspergillus oryzae To Be Published
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