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 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Characterisation of lytic polysaccharide monooxygenases from Aspergillus nidulans
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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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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8AX3
 | | Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl fluoride | | Descriptor: | (1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol, 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 (1.59 Å) | | Cite: | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
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8C4I
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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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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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8CM9
 | | Structure of human O-GlcNAc transferase in complex with UDP and tP11 | | Descriptor: | PHE-MET-PRO-LYS-TYR-SER-ILE, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE | | Authors: | Meek, R.W, Davies, G.J. | | Deposit date: | 2023-02-18 | | Release date: | 2023-10-04 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Phage display uncovers a sequence motif that drives polypeptide binding to a conserved regulatory exosite of O-GlcNAc transferase.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8CQI
 | | Human heparanase in complex with inhibitor R3794 | | Descriptor: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 1,5-anhydro-D-arabinitol, ... | | Authors: | Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
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8CE3
 | | Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with 3D fragment 2548 | | Descriptor: | (3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ... | | Authors: | Gilio, A.K, Darby, J.F, Wu, L, Davies, G.J. | | Deposit date: | 2023-02-01 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A Modular 3-D Fragment Collection: Design, Synthesis and Screening
To Be Published
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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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7AG4
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7AGH
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7AG7
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7AG1
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7AG6
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7AGK
 | | Crystal structure of E. coli SF kinase (YihV) in complex with product sulfofructose phosphate (SFP) | | Descriptor: | Sulfofructose kinase, [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid | | Authors: | Sharma, M, Davies, G.J. | | Deposit date: | 2020-09-22 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
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7BZL
 | | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol | | Descriptor: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | | Authors: | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | | Deposit date: | 2020-04-28 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7BC0
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7BC1
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7BBY
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7BBZ
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8OHR
 | | Crystal structure of human heparanase in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor | | Descriptor: | (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2023-03-21 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
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