5FOO
 
 | | 6-phospho-beta-glucosidase | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHO-BETA-D GLYCOSIDASE, ... | | Authors: | Jin, Y, Kwan, D.H, Withers, S.G, Davies, G.J. | | Deposit date: | 2015-11-24 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Chemoenzymatic Synthesis of 6-Phospho-Cyclophellitol as a Novel Probe of 6-Phospho-Beta-Glucosidases.
FEBS Lett., 590, 2016
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4NCS
 | | Human sialidase 2 in complex with 2,3-difluorosialic acid (covalent intermediate) | | Descriptor: | (2S,3S,4R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1S,2S)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, PHOSPHATE ION, Sialidase-2 | | Authors: | Buchini, S, Gallat, F.-X, Greig, I.R, Kim, J.-H, Wakatsuki, S, Chavas, L.M.G, Withers, S.G. | | Deposit date: | 2013-10-25 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Tuning mechanism-based inactivators of neuraminidases: mechanistic and structural insights.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4NC5
 | | Human sialidase 2 in complex with 2,3-difluorosialic acid (covalent intermediate) | | Descriptor: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, PHOSPHATE ION, Sialidase-2 | | Authors: | Buchini, S, Gallat, F.-X, Greig, I.R, Kim, J.-H, Wakatsuki, S, Chavas, L.M.G, Withers, S.G. | | Deposit date: | 2013-10-24 | | Release date: | 2013-11-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.513 Å) | | Cite: | Tuning mechanism-based inactivators of neuraminidases: mechanistic and structural insights.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6DFE
 | | The structure of a ternary complex of E. coli WaaC | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ADP-heptose--LPS heptosyltransferase, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name) | | Authors: | Worrall, L.J, Blaukopf, M, Withers, S.G, Strynadka, N.C.J. | | Deposit date: | 2018-05-14 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Insights into Heptosyltransferase I Catalysis and Inhibition through the Structure of Its Ternary Complex.
Structure, 26, 2018
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4KGL
 | | Crystal structure of human alpha-L-iduronidase complex with [2R,3R,4R,5S]-2-carboxy-3,4,5-trihydroxy-piperidine | | Descriptor: | (2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G. | | Deposit date: | 2013-04-29 | | Release date: | 2013-09-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase.
Nat.Chem.Biol., 9, 2013
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1C5H
 | | HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE | | Descriptor: | ENDO-1,4-BETA-XYLANASE | | Authors: | Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P. | | Deposit date: | 1999-11-24 | | Release date: | 2000-05-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase.
J.Mol.Biol., 299, 2000
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1C5I
 | | HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE | | Descriptor: | ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol | | Authors: | Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P. | | Deposit date: | 1999-11-24 | | Release date: | 2000-05-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase.
J.Mol.Biol., 299, 2000
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4KGJ
 | | Crystal structure of human alpha-L-iduronidase complex with 5-fluoro-alpha-L-idopyranosyluronic acid fluoride | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-fluoro-alpha-L-idopyranosyluronic acid fluoride, ... | | Authors: | Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G. | | Deposit date: | 2013-04-29 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase.
Nat.Chem.Biol., 9, 2013
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4KH2
 | | Crystal structure of human alpha-L-iduronidase complex with 2-deoxy-2-fluoro-alpha-L-idopyranosyluronic acid fluoride | | Descriptor: | 2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G. | | Deposit date: | 2013-04-29 | | Release date: | 2013-09-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase.
Nat.Chem.Biol., 9, 2013
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2P2V
 | | Crystal structure analysis of monofunctional alpha-2,3-sialyltransferase Cst-I from Campylobacter jejuni | | Descriptor: | 1,2-ETHANEDIOL, Alpha-2,3-sialyltransferase, CHLORIDE ION, ... | | Authors: | Chiu, C.P, Lairson, L.L, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C. | | Deposit date: | 2007-03-07 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Analysis of the alpha-2,3-Sialyltransferase Cst-I from Campylobacter jejuni in Apo and Substrate-Analogue Bound Forms.
Biochemistry, 46, 2007
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2P56
 | | Crystal structure of alpha-2,3-sialyltransferase from Campylobacter jejuni in apo form | | Descriptor: | 1,2-ETHANEDIOL, Alpha-2,3-sialyltransferase | | Authors: | Chiu, C.P, Lairson, L.L, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C. | | Deposit date: | 2007-03-14 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Analysis of the alpha-2,3-Sialyltransferase Cst-I from Campylobacter jejuni in Apo and Substrate-Analogue Bound Forms.
Biochemistry, 46, 2007
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1BSI
 | | HUMAN PANCREATIC ALPHA-AMYLASE FROM PICHIA PASTORIS, GLYCOSYLATED PROTEIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, CALCIUM ION, ... | | Authors: | Rydberg, E.H, Sidhu, G, Vo, H.C, Hewitt, J, Cote, H.C.F, Wang, Y, Numao, S, Macgillivray, R.T.A, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 1998-08-28 | | Release date: | 1999-05-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cloning, mutagenesis, and structural analysis of human pancreatic alpha-amylase expressed in Pichia pastoris.
Protein Sci., 8, 1999
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2CPU
 | | SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT | | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION | | Authors: | Brayer, G.D, Sidhu, G, Maurus, R, Rydberg, E.H, Braun, C, Wang, Y, Nguyen, N.T, Overall, C.M, Withers, S.G. | | Deposit date: | 1999-06-08 | | Release date: | 2001-06-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques.
Biochemistry, 39, 2000
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3D52
 | | GOLGI MANNOSIDASE II complex with an N-aryl carbamate derivative of gluco-hydroxyiminolactam | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alpha-mannosidase 2, ZINC ION, ... | | Authors: | Kuntz, D.A, Tarling, C.A, Withers, S.G, Rose, D.R. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen.
Biochemistry, 47, 2008
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3D50
 | | GOLGI MANNOSIDASE II complex with N-octyl-6-epi-valienamine | | Descriptor: | (1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Tarling, C.A, Withers, S.G, Rose, D.R. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen.
Biochemistry, 47, 2008
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3D4Y
 | | GOLGI MANNOSIDASE II complex with mannoimidazole | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ... | | Authors: | Kuntz, D.A, Tarling, C.A, Withers, S.G, Rose, D.R. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen.
Biochemistry, 47, 2008
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3D51
 | | GOLGI MANNOSIDASE II complex with gluco-hydroxyiminolactam | | Descriptor: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, Alpha-mannosidase 2, ... | | Authors: | Kuntz, D.A, Tarling, C.A, Withers, S.G, Rose, D.R. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen.
Biochemistry, 47, 2008
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3CPU
 | | SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT | | Descriptor: | CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ... | | Authors: | Brayer, G.D, Sidhu, G, Maurus, R, Rydberg, E.H, Braun, C, Wang, Y, Nguyen, N.T, Overall, C.M, Withers, S.G. | | Deposit date: | 1999-06-08 | | Release date: | 2001-06-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques.
Biochemistry, 39, 2000
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3VZM
 | | Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) E172H mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose | | Descriptor: | Endo-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol | | Authors: | Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P. | | Deposit date: | 2012-10-15 | | Release date: | 2013-05-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
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1ODZ
 | | Expansion of the glycosynthase repertoire to produce defined manno-oligosaccharides | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Mannan endo-1,4-beta-mannosidase, SODIUM ION, ... | | Authors: | Jahn, M, Stoll, D, Warren, R.A.J, Szabo, L, Singh, P, Gilbert, H.J, Ducros, V.M.A, Davies, G.J, Withers, S.G. | | Deposit date: | 2003-03-17 | | Release date: | 2003-07-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Expansion of the Glycosynthase Repertoire to Produce Defined Manno-Oligosaccharides
Chem.Commun.(Camb.), 12, 2003
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2IW0
 | | Structure of the chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum | | Descriptor: | ACETATE ION, CHITIN DEACETYLASE, CHLORIDE ION, ... | | Authors: | Blair, D.E, Hekmat, O, Schuttelkopf, A.W, Shrestha, B, Tokuyasu, K, Withers, S.G, van Aalten, D.M.F. | | Deposit date: | 2006-06-23 | | Release date: | 2006-07-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum.
Biochemistry, 45, 2006
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2JCK
 | | Crystal structure of alpha-1,3 Galactosyltransferase (R365K) in complex with UDP and 2 manganese ion | | Descriptor: | MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | | Authors: | Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K. | | Deposit date: | 2006-12-26 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis.
J.Mol.Biol., 369, 2007
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2JCJ
 | | Crystal structure of alpha-1,3 Galactosyltransferase (C-terminus truncated mutant-C3) in complex with UDP and Tris | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K. | | Deposit date: | 2006-12-25 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis.
J.Mol.Biol., 369, 2007
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2JCO
 | | Crystal structure of wild type alpha-1,3 Galactosyltransferase in the absence of ligands | | Descriptor: | GLYCEROL, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYL TRANSFERASE | | Authors: | Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K. | | Deposit date: | 2006-12-28 | | Release date: | 2007-06-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis.
J.Mol.Biol., 369, 2007
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2F2H
 | | Structure of the YicI thiosugar Michaelis complex | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, GLYCEROL, ... | | Authors: | Kim, Y.-W, Lovering, A.L, Strynadka, N.C.J, Withers, S.G. | | Deposit date: | 2005-11-16 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Expanding the Thioglycoligase Strategy to the Synthesis of alpha-linked Thioglycosides Allows Structural Investigation of the Parent Enzyme/Substrate Complex
J.Am.Chem.Soc., 128, 2006
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