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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
1GVY
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BU of 1gvy by Molmil
Substrate distorsion by beta-mannanase from Pseudomonas cellulosa
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINITROPHENYLENE, MANNAN ENDO-1,4-BETA-MANNOSIDASE, ...
Authors:Ducros, V, Zechel, D.L, Gilbert, H.J, Szabo, L, Withers, S.G, Davies, G.J.
Deposit date:2002-02-28
Release date:2002-09-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate Distortion by a Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest a B2,5 Conformation for the Transition State
Angew.Chem.Int.Ed.Engl., 41, 2002
1H6M
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BU of 1h6m by Molmil
Covalent glycosyl-enzyme intermediate of hen egg white lysozyme
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose, LYSOZYME C, SODIUM ION
Authors:Vocadlo, D.J, Davies, G.J, Laine, R, Withers, S.G.
Deposit date:2001-06-19
Release date:2001-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Catalysis by Hen Egg-White Lysozyme Proceeds Via a Covalent Intermediate
Nature, 412, 2001
1GW1
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BU of 1gw1 by Molmil
Substrate distortion by beta-mannanase from Pseudomonas cellulosa
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINITROPHENYLENE, MANNAN ENDO-1,4-BETA-MANNOSIDASE, ...
Authors:Ducros, V, Zechel, D.L, Gilbert, H.J, Szabo, L, Withers, S.G, Davies, G.J.
Deposit date:2002-03-01
Release date:2002-09-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate Distortion by a Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest a B2,5 Conformation for the Transition State
Angew.Chem.Int.Ed.Engl., 41, 2002
1QWU
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BU of 1qwu by Molmil
Golgi alpha-mannosidase II D341N mutant complex with 5-F-guloside
Descriptor: (2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Numao, S, Kuntz, D.A, Withers, S.G, Rose, D.R.
Deposit date:2003-09-03
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Insights into the mechanism of Drosophila melanogaster Golgi alpha-mannosidase II through the structural analysis of covalent reaction intermediates.
J.Biol.Chem., 278, 2003
1QX1
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BU of 1qx1 by Molmil
Golgi alpha-mannosidase II D341N mutant complex with 2-F-mannosyl-F
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride, ...
Authors:Numao, S, Kuntz, D.A, Withers, S.G, Rose, D.R.
Deposit date:2003-09-04
Release date:2003-10-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Insights into the mechanism of Drosophila melanogaster Golgi alpha-mannosidase II through the structural analysis of covalent reaction intermediates.
J.Biol.Chem., 278, 2003
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: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
5FOO
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BU of 5foo by Molmil
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
2WLF
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BU of 2wlf by Molmil
Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ACETYL COENZYME *A, ...
Authors:Lee, H.J, Rakic, B, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
Deposit date:2009-06-23
Release date:2009-06-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase Oatwy from Neisseria Meningitidis.
J.Biol.Chem., 284, 2009
2WLE
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BU of 2wle by Molmil
Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ...
Authors:Lee, H.J, Rakic, B, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
Deposit date:2009-06-23
Release date:2009-06-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase Oatwy from Neisseria Meningitidis.
J.Biol.Chem., 284, 2009
2WLG
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BU of 2wlg by Molmil
Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, POLYSIALIC ACID O-ACETYLTRANSFERASE, ...
Authors:Lee, H.J, Rakic, B, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
Deposit date:2009-06-23
Release date:2009-06-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase Oatwy from Neisseria Meningitidis.
J.Biol.Chem., 284, 2009
2XYL
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BU of 2xyl by Molmil
CELLULOMONAS FIMI XYLANASE/CELLULASE COMPLEXED WITH 2-DEOXY-2-FLUORO-XYLOBIOSE
Descriptor: BETA-1,4-GLYCANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose
Authors:Monem, V, Birsan, C, Warren, R.A.J, Withers, S.G, Rose, D.R.
Deposit date:1997-11-20
Release date:1998-03-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring the cellulose/xylan specificity of the beta-1,4-glycanase cex from Cellulomonas fimi through crystallography and mutation.
Biochemistry, 37, 1998
2A39
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BU of 2a39 by Molmil
HUMICOLA INSOLENS ENDOCELLULASE EGI NATIVE STRUCTURE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I
Authors:Davies, G.J, Sulzenbacher, G, Mackenzie, L, Withers, S.G, Divne, C, Jones, T.A, Woldike, H.F, Schulein, M.
Deposit date:1998-01-30
Release date:1999-02-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the family 7 endoglucanase I (Cel7B) from Humicola insolens at 2.2 A resolution and identification of the catalytic nucleophile by trapping of the covalent glycosyl-enzyme intermediate.
Biochem.J., 335, 1998
2AH2
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BU of 2ah2 by Molmil
Trypanosoma cruzi trans-sialidase 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, CHLORIDE ION, GLYCEROL, ...
Authors:Amaya, M.F, Watts, A.G, Damager, I, Wehenkel, A, Nguyen, T, Buschiazzo, A, Paris, G, Frasch, A.C, Withers, S.G, Alzari, P.M.
Deposit date:2005-07-27
Release date:2005-08-23
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into the Catalytic Mechanism of Trypanosoma cruzi trans-Sialidase
Structure, 12, 2004
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
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
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
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
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
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
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
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

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