5M7T
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![BU of 5m7t by Molmil](/molmil-images/mine/5m7t) | Structure of human O-GlcNAc hydrolase with PugNAc type inhibitor | Descriptor: | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, 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: | 2017-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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5MI5
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![BU of 5mi5 by Molmil](/molmil-images/mine/5mi5) | BtGH84 mutant with covalent modification by MA3 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 (2.15 Å) | Cite: | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
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5MI6
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![BU of 5mi6 by Molmil](/molmil-images/mine/5mi6) | BtGH84 mutant with covalent modification by MA3 in complex with Thiamet G | Descriptor: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | 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 Å) | Cite: | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
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5M7Y
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![BU of 5m7y by Molmil](/molmil-images/mine/5m7y) | Crystal structure of GH125 1,6-alpha-mannosidase mutant from Clostridium perfringens in complex with 1,6-alpha-mannotriose | Descriptor: | 1,6-alpha-mannosidase, MAGNESIUM ION, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose | Authors: | Males, A, Alonso-Gil, S, Fernandes, P, Williams, S.J, Rovira, C, Davies, G.J. | Deposit date: | 2016-10-28 | Release date: | 2016-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases. J. Am. Chem. Soc., 139, 2017
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5MEH
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5MEL
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![BU of 5mel by Molmil](/molmil-images/mine/5mel) | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Glc-alpha-1,3-(3R,4R,5R)-5-(hydroxymethyl)cyclohex-1,2-ene-3,4-diol | Descriptor: | (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol, 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: | 2016-11-15 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 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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5MSZ
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![BU of 5msz by Molmil](/molmil-images/mine/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: | 2018-03-07 | 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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5NPE
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![BU of 5npe by Molmil](/molmil-images/mine/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: | 2024-01-17 | 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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5NPB
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![BU of 5npb by Molmil](/molmil-images/mine/5npb) | |
5M7I
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![BU of 5m7i by Molmil](/molmil-images/mine/5m7i) | Crystal structure of GH125 1,6-alpha-mannosidase mutant from Clostridium perfringens in complex with 1,6-alpha-mannobiose | Descriptor: | alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose, exo-alpha-1,6-mannosidase | Authors: | Males, A, Alonso-Gil, S, Fernandes, P, Williams, S.J, Rovira, C, Davies, G.J. | Deposit date: | 2016-10-27 | Release date: | 2016-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases. J. Am. Chem. Soc., 139, 2017
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5M7S
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![BU of 5m7s by Molmil](/molmil-images/mine/5m7s) | Structure of human O-GlcNAc hydrolase with bound transition state analog ThiametG | Descriptor: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, 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: | 2017-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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5M3W
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![BU of 5m3w by Molmil](/molmil-images/mine/5m3w) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose and alpha-1,2-mannobiose | 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: | 2016-10-17 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.04 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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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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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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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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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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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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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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5NPF
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![BU of 5npf by Molmil](/molmil-images/mine/5npf) | Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with beta Cyclophellitol Cyclosulfate probe ME594 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glucosylceramidase, ... | Authors: | Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J. | Deposit date: | 2017-04-16 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
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5M03
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![BU of 5m03 by Molmil](/molmil-images/mine/5m03) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin and 1,2-alpha-mannobiose | Descriptor: | (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 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: | 2016-10-03 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.05 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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5NPD
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![BU of 5npd by Molmil](/molmil-images/mine/5npd) | Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with alpha Cyclophellitol Aziridine probe CF021 | Descriptor: | (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-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: | 2024-01-17 | 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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5O0S
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![BU of 5o0s by Molmil](/molmil-images/mine/5o0s) | Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with unreacted beta Cyclophellitol Cyclosulfate probe ME711 | Descriptor: | (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-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, CALCIUM ION, ... | Authors: | Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J. | Deposit date: | 2017-05-16 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
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1BVW
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![BU of 1bvw by Molmil](/molmil-images/mine/1bvw) | CELLOBIOHYDROLASE II (CEL6A) FROM HUMICOLA INSOLENS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Varrot, A, Davies, G.J, Schulein, M. | Deposit date: | 1998-09-19 | Release date: | 1999-09-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of the catalytic core domain of the family 6 cellobiohydrolase II, Cel6A, from Humicola insolens, at 1.92 A resolution. Biochem.J., 337, 1999
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