2HIS
 
 | | CELLULOMONAS FIMI XYLANASE/CELLULASE DOUBLE MUTANT E127A/H205N WITH COVALENT CELLOBIOSE | | Descriptor: | CELLULOMONAS FIMI FAMILY 10 BETA-1,4-GLYCANASE, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Notenboom, V, Birsan, C, Nitz, M, Rose, D.R, Warren, R.A.J, Wither, S.G. | | Deposit date: | 1998-02-23 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Insights into transition state stabilization of the beta-1,4-glycosidase Cex by covalent intermediate accumulation in active site mutants.
Nat.Struct.Biol., 5, 1998
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4V44
 | | E. COLI (lacZ) BETA-GALACTOSIDASE IN COMPLEX WITH 2-F-LACTOSE | | Descriptor: | 2-deoxy-2-fluoro-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Beta-Galactosidase, MAGNESIUM ION, ... | | Authors: | Juers, D.H, McCarter, J.D, Withers, S.G, Matthews, B.W. | | Deposit date: | 2001-09-13 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase
Biochemistry, 40, 2001
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2WAR
 | | Hen Egg White Lysozyme E35Q chitopentaose complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSOZYME C | | Authors: | Davies, G.J, Withers, S.G, Vocadlo, D.J. | | Deposit date: | 2009-02-13 | | Release date: | 2010-02-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Chitopentaose Complex of a Mutant Hen Egg-White Lysozyme Displays No Distortion of the -1 Sugar Away from a 4C1 Chair Conformation
Aust.J.Chem., 62, 2009
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2WBK
 | | Structure of the Michaelis complex of beta-mannosidase, Man2A, provides insight into the conformational itinerary of mannoside hydrolysis | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside, BETA-MANNOSIDASE, ... | | Authors: | Offen, W.A, Zechel, D.L, Withers, S.G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-03-02 | | Release date: | 2009-03-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Michaelis Complex of Beta-Mannosidase, Man2A, Provides Insight Into the Conformational Itinerary of Mannoside Hydrolysis.
Cell(Cambridge,Mass.), 18, 2009
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1KB3
 | | Three Dimensional Structure Analysis of the R195A Variant of Human Pancreatic Alpha Amylase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ... | | Authors: | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2001-11-05 | | Release date: | 2002-05-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase.
Biochemistry, 41, 2002
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1KBK
 | | Mechanistic Analyses of Catalysis in Human Pancreatic Alpha-Amylase: Detailed Kinetic and Structural Studies of Mutants of Three Conserved Carboxylic Acids | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ... | | Authors: | Rydberg, E.H, Li, C, Maurus, R, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2001-11-06 | | Release date: | 2002-04-10 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic analyses of catalysis in human pancreatic alpha-amylase: detailed kinetic and structural studies of mutants of three conserved carboxylic acids.
Biochemistry, 41, 2002
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1KBB
 | | Mechanistic Analyses of Catalysis in Human Pancreatic alpha-Amylase: Detailed Kinetic and Structural Studies of Mutants of Three Conserved Carboxylic Acids | | Descriptor: | ALPHA-AMYLASE, PANCREATIC, CALCIUM ION, ... | | Authors: | Rydberg, E.H, Li, C, Maurus, R, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2001-11-05 | | Release date: | 2002-04-10 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic analyses of catalysis in human pancreatic alpha-amylase: detailed kinetic and structural studies of mutants of three conserved carboxylic acids.
Biochemistry, 41, 2002
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1KGW
 | | THREE DIMENSIONAL STRUCTURE ANALYSIS OF THE R337Q VARIANT OF HUMAN PANCREATIC ALPHA-MYLASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ... | | Authors: | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2001-11-28 | | Release date: | 2002-01-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase.
Biochemistry, 41, 2002
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4D6H
 | | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A X02 mutant) | | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ... | | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | | Deposit date: | 2014-11-11 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
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4D6C
 | | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98)(L19 mutant) | | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE | | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | | Deposit date: | 2014-11-11 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
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7A3H
 | | NATIVE ENDOGLUCANASE CEL5A CATALYTIC CORE DOMAIN AT 0.95 ANGSTROMS RESOLUTION | | Descriptor: | ENDOGLUCANASE, ETHANOL, GLYCEROL | | Authors: | Davies, G.J, Varrot, A, Dauter, M, Brzozowski, A.M, Schulein, M, Mackenzie, L, Withers, S.G. | | Deposit date: | 1998-08-05 | | Release date: | 1999-08-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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6Q1N
 | | Glucocerebrosidase in complex with pharmacological chaperone IMX8 | | Descriptor: | (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Vickers, C, Withers, S.G, Boraston, A.B. | | Deposit date: | 2019-08-05 | | Release date: | 2020-08-19 | | Method: | X-RAY DIFFRACTION (2.526 Å) | | Cite: | Pharmacological chaperones for GCase that switch conformation with pH enhance enzyme levels in Gaucher animal models.
To Be Published
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7UZ2
 | | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-fluoro-valienide. | | Descriptor: | (1R,2S,3R,4R)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, Beta-galactosidase | | Authors: | Danby, P.M, Jeong, A, Sim, L, Sweeney, R.P, Wardman, J.F, Geissner, A, Worrall, L.J, Strynadka, N.C.J, Withers, S.G. | | Deposit date: | 2022-05-08 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Vinyl Halide-Modified Unsaturated Cyclitols are Mechanism-Based Glycosidase Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7UZ1
 | | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-bromo-valienide. | | Descriptor: | (1R,2S,3R,4R)-5-bromo-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Beta-galactosidase | | Authors: | Danby, P.M, Jeong, A, Sim, L, Sweeney, R.P, Wardman, J.F, Karimi, R, Geissner, A, Worrall, L.J, Strynadka, N.C.J, Withers, S.G. | | Deposit date: | 2022-05-08 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Vinyl Halide-Modified Unsaturated Cyclitols are Mechanism-Based Glycosidase Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
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4V45
 | | E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-F-GALACTOSYL-ENZYME INTERMEDIATE | | Descriptor: | 2-deoxy-2-fluoro-beta-D-galactopyranose, Beta-Galactosidase, MAGNESIUM ION, ... | | Authors: | Juers, D.H, McCarter, J.D, Withers, S.G, Matthews, B.W. | | Deposit date: | 2001-09-13 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase
Biochemistry, 40, 2001
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1EXP
 | | BETA-1,4-GLYCANASE CEX-CD | | Descriptor: | BETA-1,4-D-GLYCANASE CEX-CD, beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | | Authors: | White, A, Tull, D, Johns, K.L, Withers, S.G, Rose, D.R. | | Deposit date: | 1996-01-11 | | Release date: | 1997-01-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic observation of a covalent catalytic intermediate in a beta-glycosidase.
Nat.Struct.Biol., 3, 1996
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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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3LB9
 | | Crystal structure of the B. circulans cpA123 circular permutant | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | D'Angelo, I, Reitinger, S, Ludwiczek, M, Strynadka, N, Withers, S.G, Mcintosh, L.P. | | Deposit date: | 2010-01-08 | | Release date: | 2010-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Circular permutation of Bacillus circulans xylanase: a kinetic and structural study.
Biochemistry, 49, 2010
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3LMY
 | | The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bateman, K.S, Cherney, M.M, Withers, S.G, Mahuran, D.J, Tropak, M, James, M.N.G. | | Deposit date: | 2010-02-01 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine
To be Published
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6N1B
 | | Crystal structure of an N-acetylgalactosamine deacetylase from F. plautii in complex with blood group B trisaccharide | | Descriptor: | CALCIUM ION, Carbohydrate-binding protein, GLYCEROL, ... | | Authors: | Sim, L, Rahfeld, P, Withers, S.G. | | Deposit date: | 2018-11-08 | | Release date: | 2019-06-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | An enzymatic pathway in the human gut microbiome that converts A to universal O type blood.
Nat Microbiol, 4, 2019
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6N1A
 | | Crystal structure of an N-acetylgalactosamine deacetylase from F. plautii | | Descriptor: | CALCIUM ION, Carbohydrate-binding protein, GLYCEROL, ... | | Authors: | Sim, L, Rahfeld, P, Withers, S.G. | | Deposit date: | 2018-11-08 | | Release date: | 2019-06-12 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An enzymatic pathway in the human gut microbiome that converts A to universal O type blood.
Nat Microbiol, 4, 2019
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5A3H
 | | 2-DEOXY-2-FLURO-B-D-CELLOBIOSYL/ENZYME INTERMEDIATE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | ENDOGLUCANASE, beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | | Authors: | Davies, G.J, Varrot, A, Dauter, M, Brzozowski, A.M, Schulein, M, Mackenzie, L, Withers, S.G. | | Deposit date: | 1998-07-23 | | Release date: | 1999-07-24 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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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: | 2023-09-20 | | 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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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: | 2023-09-20 | | 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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