1EXP
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![BU of 1exp by Molmil](/molmil-images/mine/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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4V45
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![BU of 4v45 by Molmil](/molmil-images/mine/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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7A3H
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![BU of 7a3h by Molmil](/molmil-images/mine/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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2GK1
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![BU of 2gk1 by Molmil](/molmil-images/mine/2gk1) | X-ray crystal structure of NGT-bound HexA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-hexosaminidase subunit alpha, ... | Authors: | Lemieux, M.J, Mark, B.L, Cherney, M.M, Withers, S.G, Mahuran, D.J, James, M.N. | Deposit date: | 2006-03-31 | Release date: | 2006-05-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystallographic Structure of Human beta-Hexosaminidase A: Interpretation of Tay-Sachs Mutations and Loss of G(M2) Ganglioside Hydrolysis. J.Mol.Biol., 359, 2006
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4V44
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![BU of 4v44 by Molmil](/molmil-images/mine/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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3D50
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![BU of 3d50 by Molmil](/molmil-images/mine/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: | 2020-07-29 | 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
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![BU of 3d4y by Molmil](/molmil-images/mine/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: | 2020-07-29 | 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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6Q1P
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![BU of 6q1p by Molmil](/molmil-images/mine/6q1p) | 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
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6Q1N
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![BU of 6q1n by Molmil](/molmil-images/mine/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
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![BU of 7uz2 by Molmil](/molmil-images/mine/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
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![BU of 7uz1 by Molmil](/molmil-images/mine/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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6A3H
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![BU of 6a3h by Molmil](/molmil-images/mine/6a3h) | 2-DEOXY-2-FLURO-B-D-CELLOTRIOSYL/ENZYME INTERMEDIATE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.6 ANGSTROM RESOLUTION | Descriptor: | ENDOGLUCANASE, GLYCEROL, beta-D-glucopyranose-(1-4)-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: | 1998-07-22 | Release date: | 1999-07-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase. Biochemistry, 37, 1998
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5A3H
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![BU of 5a3h by Molmil](/molmil-images/mine/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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3VZL
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![BU of 3vzl by Molmil](/molmil-images/mine/3vzl) | Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35H mutant | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | 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: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase Biochemistry, 52, 2013
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3VZN
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![BU of 3vzn by Molmil](/molmil-images/mine/3vzn) | Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35E mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION, 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: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase Biochemistry, 52, 2013
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4KGJ
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![BU of 4kgj by Molmil](/molmil-images/mine/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
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![BU of 4kh2 by Molmil](/molmil-images/mine/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
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![BU of 4kgl by Molmil](/molmil-images/mine/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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6N1B
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![BU of 6n1b by Molmil](/molmil-images/mine/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
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![BU of 6n1a by Molmil](/molmil-images/mine/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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5FOO
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![BU of 5foo by Molmil](/molmil-images/mine/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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6DFE
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![BU of 6dfe by Molmil](/molmil-images/mine/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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3IJ8
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![BU of 3ij8 by Molmil](/molmil-images/mine/3ij8) | 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
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3IJ7
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![BU of 3ij7 by Molmil](/molmil-images/mine/3ij7) | 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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3IJ9
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![BU of 3ij9 by Molmil](/molmil-images/mine/3ij9) | 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
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