7OU6
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![BU of 7ou6 by Molmil](/molmil-images/mine/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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8BC3
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![BU of 8bc3 by Molmil](/molmil-images/mine/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
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![BU of 8bc2 by Molmil](/molmil-images/mine/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
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![BU of 8bc4 by Molmil](/molmil-images/mine/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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8BAC
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![BU of 8bac by Molmil](/molmil-images/mine/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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7OP6
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![BU of 7op6 by Molmil](/molmil-images/mine/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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7PZH
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7PZG
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![BU of 7pzg by Molmil](/molmil-images/mine/7pzg) | Phocaeicola vulgatus sialic acid esterase at 1.44 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, Lysophospholipase L1, MAGNESIUM ION, ... | Authors: | Scott, H, Armstrong, Z, Davies, G.J. | Deposit date: | 2021-10-12 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | The structure of Phocaeicola vulgatus sialic acid acetylesterase. Acta Crystallogr D Struct Biol, 78, 2022
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8RVK
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![BU of 8rvk by Molmil](/molmil-images/mine/8rvk) | Maltodextrin phosphorylase (MalP) in complex with a alpha-1,2-cyclophellitol analogue | Descriptor: | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bennett, M, Ofman, T.P, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2024-02-01 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition. Chemistry, 30, 2024
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8B5M
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![BU of 8b5m by Molmil](/molmil-images/mine/8b5m) | 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
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8B7P
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![BU of 8b7p by Molmil](/molmil-images/mine/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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8BQA
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![BU of 8bqa by Molmil](/molmil-images/mine/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: | 2024-06-12 | 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
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8BN7
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![BU of 8bn7 by Molmil](/molmil-images/mine/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 | 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
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8BQC
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![BU of 8bqc by Molmil](/molmil-images/mine/8bqc) | 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
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8BQB
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![BU of 8bqb by Molmil](/molmil-images/mine/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 | 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
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8C4I
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8Q59
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![BU of 8q59 by Molmil](/molmil-images/mine/8q59) | Crystal structure of metal-dependent class II sulfofructose phosphate aldolase from Yersinia aldovae in complex with sulfofructose phosphate (YaSqiA-Zn-SFP) | Descriptor: | (3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid, SODIUM ION, Tagatose-1,6-bisphosphate aldolase kbaY, ... | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2023-08-08 | Release date: | 2023-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases. J.Biol.Chem., 299, 2023
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8Q5A
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![BU of 8q5a by Molmil](/molmil-images/mine/8q5a) | Crystal structure of metal-dependent class II sulfofructosephosphate aldolase from Hafnia paralvei HpSqiA-Zn in complex with dihydroxyacetone phosphate (DHAP) | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Ketose-bisphosphate aldolase, ZINC ION | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2023-08-08 | Release date: | 2023-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases. J.Biol.Chem., 299, 2023
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8Q58
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8Q57
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![BU of 8q57 by Molmil](/molmil-images/mine/8q57) | Crystal structure of class II SFP aldolase from Yersinia aldovae (YaSqiA-Zn-SO4) with bound sulfate ions | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, SULFATE ION, ... | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2023-08-08 | Release date: | 2023-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases. J.Biol.Chem., 299, 2023
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2YET
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![BU of 2yet by Molmil](/molmil-images/mine/2yet) | Thermoascus GH61 isozyme A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL GROUP, COPPER (II) ION, ... | Authors: | Otten, H, Quinlan, R.J, Sweeney, M.D, Poulsen, J.-C.N, Johansen, K.S, Krogh, K.B.R.M, Joergensen, C.I, Tovborg, M, Anthonsen, A, Tryfona, T, Walter, C.P, Dupree, P, Xu, F, Davies, G.J, Walton, P.H, Lo Leggio, L. | Deposit date: | 2011-03-30 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Insights Into the Oxidative Degradation of Cellulose by a Copper Metalloenzyme that Exploits Biomass Components. Proc.Natl.Acad.Sci.USA, 108, 2011
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2YOW
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![BU of 2yow by Molmil](/molmil-images/mine/2yow) | Bacillus amyloliquefaciens CBM33 | Descriptor: | RBAM17540 | Authors: | Hemsworth, G.R, Taylor, E.J, Kim, R.Q, Lewis, S.J, Turkenburg, J.P, Davies, G.J, Walton, P.H. | Deposit date: | 2012-10-29 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Copper Active Site of Cbm33 Polysaccharide Oxygenases. J.Am.Chem.Soc., 135, 2013
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2YOX
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![BU of 2yox by Molmil](/molmil-images/mine/2yox) | Bacillus amyloliquefaciens CBM33 in complex with Cu(I) after photoreduction | Descriptor: | COPPER (I) ION, RBAM17540 | Authors: | Hemsworth, G.R, Taylor, E.J, Kim, R.Q, Lewis, S.J, Turkenburg, J.P, Davies, G.J, Walton, P.H. | Deposit date: | 2012-10-29 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Copper Active Site of Cbm33 Polysaccharide Oxygenases. J.Am.Chem.Soc., 135, 2013
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2YOY
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![BU of 2yoy by Molmil](/molmil-images/mine/2yoy) | Bacillus amyloliquefaciens CBM33 in complex with Cu(I) reduced using ascorbate | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, RBAM17540 | Authors: | Hemsworth, G.R, Taylor, E.J, Kim, R.Q, Lewis, S.J, Turkenburg, J.P, Davies, G.J, Walton, P.H. | Deposit date: | 2012-10-29 | Release date: | 2013-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Copper Active Site of Cbm33 Polysaccharide Oxygenases. J.Am.Chem.Soc., 135, 2013
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5IJU
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![BU of 5iju by Molmil](/molmil-images/mine/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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