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
 | | 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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7NTF
 | | Cryo-EM structure of unliganded O-GlcNAc transferase | | Descriptor: | Isoform 1 of UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Meek, R.W, Blaza, J.N, Davies, G.J. | | Deposit date: | 2021-03-09 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (5.32 Å) | | Cite: | Cryo-EM structure provides insights into the dimer arrangement of the O-linked beta-N-acetylglucosamine transferase OGT.
Nat Commun, 12, 2021
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7NIT
 | | X-ray structure of a multidomain BbgIII from Bifidobacterium bifidum | | Descriptor: | Beta-galactosidase, CALCIUM ION, GLYCEROL, ... | | Authors: | Moroz, O.V, Blagova, E, Lebedev, A.A, Sanchez Rodriguez, F, Rigden, D.J, Tams, J.W, Wilting, R, Vester, J.K, Longhin, E, Krogh, K.B.R, Pache, R.A, Davies, G.J, Wilson, K.S. | | Deposit date: | 2021-02-14 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Multitasking in the gut: the X-ray structure of the multidomain BbgIII from Bifidobacterium bifidum offers possible explanations for its alternative functions.
Acta Crystallogr D Struct Biol, 77, 2021
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7NBZ
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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
 | | 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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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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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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7NSN
 | | Multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis: mannoimidazole complex | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Kolaczkowski, B.M, Moroz, O.V, Blagova, E, Davies, G.J, Wilson, K.S, Moeler, M.S, Meyer, A.S, Westh, P, Jensen, K, Krogh, K.B.R.M. | | Deposit date: | 2021-03-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural and functional characterization of a multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis.
Acta Crystallogr D Struct Biol, 79, 2023
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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: | 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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5E9C
 | | Crystal structure of human heparanase in complex with heparin tetrasaccharide dp4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2015-10-15 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
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5E8M
 | | Crystal structure of human heparanase | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2015-10-14 | | Release date: | 2015-11-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
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5E97
 | | Glycoside Hydrolase ligand structure 1 | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2015-10-14 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
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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: | 2024-01-17 | | 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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7OH2
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7OFY
 | | Crystal structure of SQ binding protein from Agrobacterium tumefaciens in complex with sulfoquinovosyl glycerol (SQGro) | | Descriptor: | 1,2-ETHANEDIOL, Sulfoquinovosyl binding protein, [(2S,3S,4S,5R,6S)-6-[(2R)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | Authors: | Jarva, M.A, Sharma, M, Goddard-Borger, E.D, Davies, G.J. | | Deposit date: | 2021-05-05 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7OFX
 | | Crystal structure of a GH31 family sulfoquinovosidase mutant D455N from Agrobacterium tumefaciens in complex with sulfoquinovosyl glycerol (SQGro) | | Descriptor: | Alpha-glucosidase yihQ, [(2S,3S,4S,5R,6S)-6-[(2R)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | Authors: | Sharma, M, Davies, G.J. | | Deposit date: | 2021-05-05 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7OMS
 | | Bs164 in complex with mannocyclophellitol aziridine | | Descriptor: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | McGregor, N, Beenakker, T, Kuo, C.L, Wong, C.S, Offren, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H, Davies, G.J. | | Deposit date: | 2021-05-24 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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7OLF
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7ODJ
 | | Exo-mannosidase from Cellvibrio mixtus bound to N-alkyl mannocyclophellitol aziridine | | Descriptor: | (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Man5A, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2021-04-29 | | Release date: | 2022-02-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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7NWV
 | | Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY Tagged Cyclophellitol activity based probe | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, 1-deoxy-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2021-03-17 | | Release date: | 2022-03-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
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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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