8AWR
| Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl chloride | Descriptor: | (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol, (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2022-08-30 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases To be published
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8AWK
| Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride | Descriptor: | (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2022-08-30 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases To be published
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8BC2
| Ligand-Free Structure of the decameric sulfofructose transaldolase BmSF-TAL | Descriptor: | Transaldolase | Authors: | Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J. | Deposit date: | 2022-10-14 | Release date: | 2023-01-18 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism. Structure, 31, 2023
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8BC4
| Cryo-EM Structure of a BmSF-TAL - Sulfofructose Schiff Base Complex in symmetry group C1 | Descriptor: | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid, Transaldolase | Authors: | Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J. | Deposit date: | 2022-10-14 | Release date: | 2023-01-18 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism. Structure, 31, 2023
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8BC3
| Cryo-EM Structure of a BmSF-TAL - Sulfofructose Schiff Base Complex | Descriptor: | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid, BmSF-TAL | Authors: | Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J. | Deposit date: | 2022-10-14 | Release date: | 2023-01-18 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism. Structure, 31, 2023
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8BAC
| Crystal structure of human heparanase in complex with competitive inhibitor GD05 | Descriptor: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Armstrong, Z, Davies, G.J. | Deposit date: | 2022-10-11 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis of Uronic Acid 1-Azasugars as Putative Inhibitors of alpha-Iduronidase, beta-Glucuronidase and Heparanase. Chembiochem, 24, 2023
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8B7P
| Crystal structure of an AA9 LPMO from Aspergillus nidulans, AnLPMOC | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Endo-beta-1,4-glucanase D | Authors: | Males, A, Rafael Fanchini Terrasan, C, Davies, G.J, Walton, P.H. | Deposit date: | 2022-09-30 | Release date: | 2023-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Characterisation of lytic polysaccharide monooxygenases from Aspergillus nidulans To Be Published
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8BN7
| CjCel5C endo-glucanase | Descriptor: | Cellulase, putative, cel5C | Authors: | McGregor, N.G.S, Davies, G.J. | Deposit date: | 2022-11-13 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.182 Å) | Cite: | Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes To Be Published
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8BQB
| CjCel5C endo-glucanase bound to CB396 covalent inhibitor | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, Cellulase, putative, ... | Authors: | McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2022-11-20 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes To Be Published
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8BQC
| CjCel5B endo-glucanase | Descriptor: | Endoglucanase | Authors: | McGregor, N.G.S, Davies, G.J. | Deposit date: | 2022-11-20 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes To Be Published
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8BQA
| CjCel5B endo-glucanase bound to CB665 covalent inhibitor | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, Endoglucanase, alpha-D-xylopyranose, ... | Authors: | McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2022-11-20 | Release date: | 2023-11-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes To Be Published
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182D
| DNA-NOGALAMYCIN INTERACTIONS: THE CRYSTAL STRUCTURE OF D(TGATCA) COMPLEXED WITH NOGALAMYCIN | Descriptor: | DNA (5'-D(*TP*GP*AP*TP*CP*A)-3'), NOGALAMYCIN | Authors: | Smith, C.K, Davies, G.J, Dodson, E.J, Moore, M.H. | Deposit date: | 1994-07-28 | Release date: | 1994-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | DNA-nogalamycin interactions: the crystal structure of d(TGATCA) complexed with nogalamycin. Biochemistry, 34, 1995
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7QHV
| Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovosyl diacylglycerol | Descriptor: | GLYCINE, Sulfoquinovosyl binding protein, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | Authors: | Snow, A, Davies, G.J. | Deposit date: | 2021-12-14 | Release date: | 2022-04-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | The sulfoquinovosyl glycerol binding protein SmoF binds and accommodates plant sulfolipids. Curr Res Struct Biol, 4, 2022
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7QQH
| Crystal structure of MYORG (D520N) in complex with Gal-a1,4-Glc | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Meek, R.W, Davies, G.J. | Deposit date: | 2022-01-07 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity. Plos Biol., 20, 2022
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7QQG
| Crystal structure of MYORG bound to 1-deoxygalactonojirimycin | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Meek, R.W, Davies, G.J. | Deposit date: | 2022-01-07 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity. Plos Biol., 20, 2022
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7QQF
| Crystal structure of unliganded MYORG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Meek, R.W, Davies, G.J. | Deposit date: | 2022-01-07 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity. Plos Biol., 20, 2022
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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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5C86
| Novel fungal alcohol oxidase with catalytic diversity among the AA5 family, apo form | Descriptor: | Kelch domain-containing protein | Authors: | Urresti, S, Yin, D.T, LaFond, M, Derikvand, F, Berrin, G.J, Henrissat, B, Walton, P.H, Brumer, H, Davies, G.J. | Deposit date: | 2015-06-25 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structure-function characterization reveals new catalytic diversity in the galactose oxidase and glyoxal oxidase family. Nat Commun, 6, 2015
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5C92
| Novel fungal alcohol oxidase with catalytic diversity among the AA5 family, in complex with copper | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (I) ION, ... | Authors: | Urresti, S, Yin, D.T, LaFond, M, Derikvand, F, Berrin, G.J, Henrissat, B, Walton, P.H, Brumer, H, Davies, G.J. | Deposit date: | 2015-06-26 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-function characterization reveals new catalytic diversity in the galactose oxidase and glyoxal oxidase family. Nat Commun, 6, 2015
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2VI0
| Lichenase CtLic26 in complex with a thio-oligosaccharide | Descriptor: | 4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside, Endoglucanase H, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Money, V.A, Ducros, V.M, Davies, G.J. | Deposit date: | 2007-11-26 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Probing the beta-1,3:1,4 glucanase, CtLic26A, with a thio-oligosaccharide and enzyme variants. Org. Biomol. Chem., 6, 2008
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5IJU
| Structure of an AA10 Lytic Polysaccharide Monooxygenase from Bacillus amyloliquefaciens with Cu(II) bound | Descriptor: | 1,2-ETHANEDIOL, BaAA10 Lytic Polysaccharide Monooxygenase, CALCIUM ION, ... | Authors: | Gregory, R.C, Hemsworth, G.R, Turkenburg, J.P, Hart, S.J, Walton, P.H, Davies, G.J. | Deposit date: | 2016-03-02 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Activity, stability and 3-D structure of the Cu(ii) form of a chitin-active lytic polysaccharide monooxygenase from Bacillus amyloliquefaciens. Dalton Trans, 45, 2016
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1HTB
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7OU6
| Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | Descriptor: | Protein O-GlcNAcase, ~{N}-[(3~{Z},6~{S},7~{R},8~{R},8~{a}~{S})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide | Authors: | Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L. | Deposit date: | 2021-06-11 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications J.Am.Chem.Soc., 144, 2022
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7OP6
| Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol 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, BROMIDE ION, ... | Authors: | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2021-05-29 | Release date: | 2022-05-18 | 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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7PR6
| Crystal structure of E. coli beta-glucuronidase in complex with covalent inhibitor ME727 | Descriptor: | (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase | Authors: | Wu, L, Armstrong, Z, Davies, G.J. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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