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7A3H
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BU of 7a3h by Molmil
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:2023-08-09
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
4V44
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BU of 4v44 by Molmil
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
4V45
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BU of 4v45 by Molmil
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
7UZ2
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BU of 7uz2 by Molmil
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
7UZ1
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BU of 7uz1 by Molmil
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
1BSI
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BU of 1bsi by Molmil
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
1C5H
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BU of 1c5h by Molmil
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
1C5I
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BU of 1c5i by Molmil
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
6Q1P
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BU of 6q1p by Molmil
Glucocerebrosidase in complex with pharmacological chaperone norIMX8
Descriptor: (2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}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 (2.796 Å)
Cite:Pharmacological chaperones for GCase that switch conformation with pH enhance enzyme levels in Gaucher animal models.
To Be Published
6Q1N
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BU of 6q1n by Molmil
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
6DFE
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BU of 6dfe by Molmil
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
2HIS
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BU of 2his by Molmil
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
3IJ8
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BU of 3ij8 by Molmil
Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase
Descriptor: (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 5-fluoro-alpha-L-idopyranose, CALCIUM ION, ...
Authors:Li, C, Zhang, R, Withers, S.G, Brayer, G.D.
Deposit date:2009-08-04
Release date:2009-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase
Biochemistry, 48, 2009
3IJ7
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BU of 3ij7 by Molmil
Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase
Descriptor: 4-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranosyl fluoride, 4-O-methyl-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-2)-5-fluoro-alpha-L-idopyranose, CALCIUM ION, ...
Authors:Li, C, Zhang, R, Withers, S.G, Brayer, G.D.
Deposit date:2009-08-03
Release date:2009-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase
Biochemistry, 48, 2009
3IJ9
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BU of 3ij9 by Molmil
Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase
Descriptor: (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, CALCIUM ION, CHLORIDE ION, ...
Authors:Li, C, Zhang, R, Withers, S.G, Brayer, G.D.
Deposit date:2009-08-04
Release date:2009-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase
Biochemistry, 48, 2009
5A3H
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BU of 5a3h by Molmil
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
3LB9
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BU of 3lb9 by Molmil
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
1EXP
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BU of 1exp by Molmil
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
6N1B
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BU of 6n1b by Molmil
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
6N1A
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BU of 6n1a by Molmil
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
3LMY
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BU of 3lmy by Molmil
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
4KGJ
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BU of 4kgj by Molmil
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
4KH2
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BU of 4kh2 by Molmil
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
4KGL
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BU of 4kgl by Molmil
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
4MJ4
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BU of 4mj4 by Molmil
Human iduronidase apo structure P21 form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, CHLORIDE ION, ...
Authors:Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G.
Deposit date:2013-09-03
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.172 Å)
Cite:Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase.
Nat.Chem.Biol., 9, 2013

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