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6ZJ6
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BU of 6zj6 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with cyclohexylmethyl-Glc-1,3-isofagomine
Descriptor: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ACETATE ION, ...
Authors:Thompson, A.J, Sobala, L.F, Fernandes, P.Z, Hakki, Z, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-27
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
5C86
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BU of 5c86 by Molmil
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:2024-10-09
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
5C92
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BU of 5c92 by Molmil
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
4UTF
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BU of 4utf by Molmil
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
4V1R
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BU of 4v1r by Molmil
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
4V1Z
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BU of 4v1z by Molmil
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:2024-10-16
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
8C54
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BU of 8c54 by Molmil
Cryo-EM structure of NADH bound SLA dehydrogenase RlGabD from Rhizobium leguminosarum bv. trifolii SRD1565
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Succinate semialdehyde dehydrogenase
Authors:Sharma, M, Meek, R.W, Armstrong, Z, Blaza, J.N, Alhifthi, A, Li, J, Goddard-Borger, E.D, Williams, S.J, Davies, G.J.
Deposit date:2023-01-06
Release date:2023-09-20
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Molecular basis of sulfolactate synthesis by sulfolactaldehyde dehydrogenase from Rhizobium leguminosarum.
Chem Sci, 14, 2023
3ZMR
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BU of 3zmr by Molmil
Bacteroides ovatus GH5 xyloglucanase in complex with a XXXG heptasaccharide
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CELLULASE (GLYCOSYL HYDROLASE FAMILY 5), ...
Authors:Larsbrink, J, Rogers, T.E, Hemsworth, G.R, McKee, L.S, Spadiut, O, Klinter, S, Pudlo, N.A, Urs, K, Kelly, A.G, Cederholm, S.N, Davies, G.J, Martens, E.C, Brumer, H.
Deposit date:2013-02-12
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A Discrete Genetic Locus Confers Xyloglucan Metabolism in Select Human Gut Bacteroidetes
Nature, 506, 2014
8AWR
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BU of 8awr by Molmil
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
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
8AWK
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BU of 8awk by Molmil
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
8AX3
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BU of 8ax3 by Molmil
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
8BC3
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BU of 8bc3 by Molmil
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
8BC2
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BU of 8bc2 by Molmil
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
8BC4
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BU of 8bc4 by Molmil
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
8B5M
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BU of 8b5m by Molmil
Crystal structure of GH47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with cyclosulfamidate inhibitor
Descriptor: (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, CALCIUM ION, Mannosyl-oligosaccharide 1,2-alpha-mannosidase, ...
Authors:Males, A, Davies, G.J.
Deposit date:2022-09-23
Release date:2023-10-04
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:GH47 and Cyclosulfamidate
To Be Published
8B7P
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BU of 8b7p by Molmil
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
8BQA
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BU of 8bqa by Molmil
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:2024-06-12
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System.
Acs Cent.Sci., 9, 2023
8BN7
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BU of 8bn7 by Molmil
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
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.182 Å)
Cite:A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System.
Acs Cent.Sci., 9, 2023
8BQC
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BU of 8bqc by Molmil
CjCel5B endo-glucanase
Descriptor: Endoglucanase
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2022-11-20
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System.
Acs Cent.Sci., 9, 2023
8BQB
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BU of 8bqb by Molmil
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
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System.
Acs Cent.Sci., 9, 2023
8C4I
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BU of 8c4i by Molmil
Ligand-free Crystal Structure of the decameric Sulfofructose Transaldolase BmSF-TAL
Descriptor: BmSF-TAL
Authors:Snow, A.J.D, Sharma, M, Davies, G.J.
Deposit date:2023-01-04
Release date:2023-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism.
Structure, 31, 2023
8CE3
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BU of 8ce3 by Molmil
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
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A Modular 3-D Fragment Collection: Design, Synthesis and Screening
To Be Published
8CM9
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BU of 8cm9 by Molmil
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
7DIF
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BU of 7dif by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol at 1.75-angstrom resolution
Descriptor: (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, POTASSIUM ION, ...
Authors:Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S.
Deposit date:2020-11-19
Release date:2021-01-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
5IJU
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BU of 5iju by Molmil
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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