5OHS
 
 | | A GH31 family sulfoquinovosidase mutant D455N in complex with pNPSQ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 4-nitrophenyl alpha-D-6-sulfoquinovoside, ... | | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | | Deposit date: | 2017-07-18 | | Release date: | 2018-08-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases.
ACS Cent Sci, 4, 2018
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5OHT
 | | A GH31 family sulfoquinovosidase from E. coli in complex with aza-sugar inhibitor IFGSQ | | Descriptor: | CALCIUM ION, Sulfoquinovosidase, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | | Deposit date: | 2017-07-18 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases.
ACS Cent Sci, 4, 2018
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6O0U
 | | Crystal structure of the TIR domain H685A mutant from human SARM1 | | Descriptor: | Sterile alpha and TIR motif-containing protein 1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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6O0Q
 | | Crystal structure of the TIR domain from human SARM1 in complex with ribose | | Descriptor: | CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1, beta-D-ribofuranose | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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5M7I
 | | Crystal structure of GH125 1,6-alpha-mannosidase mutant from Clostridium perfringens in complex with 1,6-alpha-mannobiose | | Descriptor: | alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose, exo-alpha-1,6-mannosidase | | Authors: | Males, A, Alonso-Gil, S, Fernandes, P, Williams, S.J, Rovira, C, Davies, G.J. | | Deposit date: | 2016-10-27 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases.
J. Am. Chem. Soc., 139, 2017
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6Q4W
 | | Structure of MPT-1, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana | | Descriptor: | LmxM MPT-1 | | Authors: | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J. | | Deposit date: | 2018-12-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
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5M5D
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2016-10-21 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
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5MC8
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal and alpha-1,2-mannobiose | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2016-11-09 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
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5OHY
 | | A GH31 family sulfoquinovosidase in complex with aza-sugar inhibitor IFGSQ | | Descriptor: | 1,2-ETHANEDIOL, Alpha-glucosidase yihQ, PHOSPHATE ION, ... | | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | | Deposit date: | 2017-07-18 | | Release date: | 2018-08-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases.
ACS Cent Sci, 4, 2018
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1FH9
 | | CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED LACTAM OXIME INHIBITOR | | Descriptor: | BETA-1,4-XYLANASE, beta-D-xylopyranose-(1-4)-(2Z,3S,4S,5R)-2-hydroxyiminopiperidine-3,4,5-triol | | Authors: | Notenboom, V, Williams, S.J, Hoos, R, Withers, S.G, Rose, D.R. | | Deposit date: | 2000-07-31 | | Release date: | 2000-08-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Detailed structural analysis of glycosidase/inhibitor interactions: complexes of Cex from Cellulomonas fimi with xylobiose-derived aza-sugars.
Biochemistry, 39, 2000
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1FH8
 | | CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED ISOFAGOMINE INHIBITOR | | Descriptor: | BETA-1,4-XYLANASE, PIPERIDINE-3,4-DIOL, beta-D-xylopyranose | | Authors: | Notenboom, V, Williams, S.J, Hoos, R, Withers, S.G, Rose, D.R. | | Deposit date: | 2000-07-31 | | Release date: | 2000-08-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Detailed structural analysis of glycosidase/inhibitor interactions: complexes of Cex from Cellulomonas fimi with xylobiose-derived aza-sugars.
Biochemistry, 39, 2000
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1FH7
 | | CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED INHIBITOR DEOXYNOJIRIMYCIN | | Descriptor: | BETA-1,4-XYLANASE, PIPERIDINE-3,4,5-TRIOL, beta-D-xylopyranose | | Authors: | Notenboom, V, Williams, S.J, Hoos, R, Withers, S.G, Rose, D.R. | | Deposit date: | 2000-07-31 | | Release date: | 2000-08-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Detailed structural analysis of glycosidase/inhibitor interactions: complexes of Cex from Cellulomonas fimi with xylobiose-derived aza-sugars.
Biochemistry, 39, 2000
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1FHD
 | | CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED IMIDAZOLE INHIBITOR | | Descriptor: | 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, BETA-1,4-XYLANASE, beta-D-xylopyranose | | Authors: | Notenboom, V, Williams, S.J, Hoos, R, Withers, S.G, Rose, D.R. | | Deposit date: | 2000-07-31 | | Release date: | 2000-08-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Detailed structural analysis of glycosidase/inhibitor interactions: complexes of Cex from Cellulomonas fimi with xylobiose-derived aza-sugars.
Biochemistry, 39, 2000
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5TEC
 | | Crystal structure of the TIR domain from the Arabidopsis thaliana NLR protein SNC1 | | Descriptor: | Protein SUPPRESSOR OF npr1-1, CONSTITUTIVE 1 | | Authors: | Zhang, X, Bentham, A, Ve, T, Williams, S.J, Kobe, B. | | Deposit date: | 2016-09-20 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multiple functional self-association interfaces in plant TIR domains.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4CD8
 | | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManMIm | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4CD7
 | | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG and beta-1,4-mannobiose | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose, ... | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4CD5
 | | The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManMIm | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4CD4
 | | The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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8SXS
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4CD6
 | | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6F90
 | | Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI) | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Alpha-1,2-mannosidase, putative, ... | | Authors: | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
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6FAM
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-2-aminodeoxymannojirimycin | | Descriptor: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose, ... | | Authors: | Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. | | Deposit date: | 2017-12-15 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases.
Chemistry, 24, 2018
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6F92
 | | Structure of the family GH92 alpha-mannosidase BT3965 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI) | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
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6FAR
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-mannoimidazole | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Glycosyl hydrolase family 71, alpha-D-mannopyranose | | Authors: | Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. | | Deposit date: | 2017-12-16 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases.
Chemistry, 24, 2018
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6F8Z
 | | Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,2-mannosidase, putative, ... | | Authors: | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
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