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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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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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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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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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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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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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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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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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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4UTF
 | | Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine and alpha- 1,2-mannobiose | | Descriptor: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ... | | Authors: | Cuskin, F, Lowe, E.C, Temple, M.J, Zhu, Y, Pudlo, N.A, Cameron, E.A, Urs, K, Thompson, A.J, Cartmell, A, Rogowski, A, Tolbert, T, Piens, K, Bracke, D, Vervecken, W, Hakki, Z, Speciale, G, Munoz-Munoz, J.L, Pena, M.J, McLean, R, Suits, M.D, Boraston, A.B, Atherly, T, Ziemer, C.J, Williams, S.J, Davies, G.J, Abbott, D.W, Martens, E.C, Gilbert, H.J. | | Deposit date: | 2014-07-21 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
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4V1R
 | | Structure of a selenomethionine derivative of the GH76 alpha- mannanase BT2949 Bacteroides thetaiotaomicron | | Descriptor: | 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, S,R MESO-TARTARIC ACID | | Authors: | Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2014-10-02 | | Release date: | 2015-02-11 | | Last modified: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron
Acta Crystallogr.,Sect.D, 71, 2015
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4V1Z
 | | The 3-D structure of the cellobiohydrolase, Cel7A, from Aspergillus fumigatus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE, ZINC ION | | Authors: | Moroz, O.V, Maranta, M, Shaghasi, T, Harris, P.V, Wilson, K.S, Davies, G.J. | | Deposit date: | 2014-10-04 | | Release date: | 2015-01-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The Three-Dimensional Structure of the Cellobiohydrolase Cel7A from Aspergillus Fumigatus at 1.5 A Resolution
Acta Crystallogr.,Sect.F, 71, 2015
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4UZU
 | | Three-dimensional structure of a variant `Termamyl-like' Geobacillus stearothermophilus alpha-amylase at 1.9 A resolution | | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Offen, W.A, Anderson, C, Borchert, T.V, Wilson, K.S, Davies, G.J. | | Deposit date: | 2014-09-09 | | Release date: | 2015-01-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Three-Dimensional Structure of a Variant `Termamyl-Like' Geobacillus Stearothermophilus Alpha-Amylase at 1.9 A Resolution
Acta Crystallogr.,Sect.F, 71, 2015
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4V1S
 | | Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron | | Descriptor: | ALPHA-1,6-MANNANASE, GLYCEROL | | Authors: | Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2014-10-02 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron
Acta Crystallogr.,Sect.D, 71, 2015
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4UTU
 | | Structural and biochemical characterization of the N- acetylmannosamine-6-phosphate 2-epimerase from Clostridium perfringens | | Descriptor: | CHLORIDE ION, N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE, N-acetylmannosamine-6-phosphate | | Authors: | Pelissier, M.C, Sebban-Kreuzer, C, Guerlesquin, F, Brannigan, J.A, Davies, G.J, Bourne, Y, Vincent, F. | | Deposit date: | 2014-07-23 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2-Epimerase Essential for the Sialic Acid Salvage Pathway
J.Biol.Chem., 289, 2014
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8A3H
 | | Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution | | Descriptor: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, ACETATE ION, GLYCEROL, ... | | Authors: | Varrot, A, Schulein, M, Pipelier, M, Vasella, A, Davies, G.J. | | Deposit date: | 1999-01-20 | | Release date: | 2000-01-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Lateral Protonation of a Glycosidase Inhibitor. Structure of the Bacillus agaradhaerens Cel5A in Complex with a Cellobiose-Derived Imidazole at 0.97 A Resolution
J.Am.Chem.Soc., 121, 1999
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6HMG
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) | | Descriptor: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J. | | Deposit date: | 2018-09-12 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
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6HPF
 | | Structure of Inactive E165Q mutant of fungal non-CBM carrying GH26 endo-b-mannanase from Yunnania penicillata in complex with alpha-62-61-di-galactosyl-mannotriose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ... | | Authors: | von Freiesleben, P, Moroz, O.V, Blagova, E, Wiemann, M, Spodsberg, N, Agger, J.W, Davies, G.J, Wilson, K.S, Stalbrand, H, Meyer, A.S, Krogh, K.B.R.M. | | Deposit date: | 2018-09-20 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Crystal structure and substrate interactions of an unusual fungal non-CBM carrying GH26 endo-beta-mannanase from Yunnania penicillata.
Sci Rep, 9, 2019
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6HAA
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8R56
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6HKI
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