8C7F
 
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7ZB3
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7ZEQ
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7ZDY
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7ZGZ
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6I6R
 | | New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes | | Descriptor: | (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | | Authors: | Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2018-11-15 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
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6I6X
 | | New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes | | Descriptor: | (1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-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: | Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2018-11-15 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
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2CET
 | | Beta-glucosidase from Thermotoga maritima in complex with phenethyl- substituted glucoimidazole | | Descriptor: | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Gloster, T.M, Roberts, S, Vasella, A, Davies, G.J. | | Deposit date: | 2006-02-10 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006
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2CES
 | | Beta-glucosidase from Thermotoga maritima in complex with glucoimidazole | | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | | Authors: | Gloster, T.M, Roberts, S, Vasella, A, Davies, G.J. | | Deposit date: | 2006-02-10 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006
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2CBV
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2CBU
 | | Beta-glucosidase from Thermotoga maritima in complex with castanospermine | | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | | Authors: | Gloster, T.M, Davies, G.J, Madsen, R. | | Deposit date: | 2006-01-09 | | Release date: | 2006-02-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Dissection of Conformationally Restricted Inhibitors Binding to a Beta-Glucosidase.
Chembiochem, 7, 2006
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6GWG
 | | Alpha-galactosidase from Thermotoga maritima in complex with cyclohexene-based carbasugar mimic of galactose covalently linked to the nucleophile | | Descriptor: | (1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol, Alpha-galactosidase, GLYCEROL, ... | | Authors: | Gloster, T.M, Oehler, V. | | Deposit date: | 2018-06-24 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
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6GVD
 | | Alpha-galactosidase from Thermotoga maritima in complex with cyclohexene-based carbasugar mimic of galactose | | Descriptor: | (1~{S},2~{S},3~{S},4~{S})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, Alpha-galactosidase, MAGNESIUM ION, ... | | Authors: | Gloster, T.M, Pengelly, R.J. | | Deposit date: | 2018-06-20 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
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6GWF
 | | Alpha-galactosidase mutant D387A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 2,4-dinitro leaving group | | Descriptor: | (1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol, Alpha-galactosidase, MAGNESIUM ION, ... | | Authors: | Gloster, T.M, Oehler, V. | | Deposit date: | 2018-06-24 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
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6GTA
 | | Alpha-galactosidase mutant D378A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 3,5 difluorophenyl leaving group | | Descriptor: | (1~{R},2~{S},3~{S},6~{S})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, Alpha-galactosidase, MAGNESIUM ION, ... | | Authors: | Gloster, T.M, Pengelly, R.J. | | Deposit date: | 2018-06-17 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
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6GX8
 | | Alpha-galactosidase from Thermotoga maritima in complex with hydrolysed cyclohexene-based carbasugar mimic of galactose | | Descriptor: | (1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol, Alpha-galactosidase, GLYCEROL, ... | | Authors: | Gloster, T.M, Oehler, V. | | Deposit date: | 2018-06-26 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
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1OD8
 | | Xylanase Xyn10A from Streptomyces lividans in complex with xylobio-isofagomine lactam | | Descriptor: | ENDO-1,4-BETA-XYLANASE A, IMIDAZOLE, SODIUM ION, ... | | Authors: | Gloster, T.M, Roberts, S, Davies, G.J. | | Deposit date: | 2003-02-14 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | A Xylobiose-Derived Isofagomine Lactam Glycosidase Inhibitor Binds as its Amide Tautomer
Chem.Commun.(Camb.), 8, 2003
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2CER
 | | Beta-glycosidase from Sulfolobus solfataricus in complex with phenethyl-substituted glucoimidazole | | Descriptor: | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A | | Authors: | Gloster, T.M, Roberts, S, Moracci, M, Vasella, A, Davies, G.J. | | Deposit date: | 2006-02-10 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006
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2CEQ
 | | Beta-glycosidase from Sulfolobus solfataricus in complex with glucoimidazole | | Descriptor: | ACETATE ION, BETA-GALACTOSIDASE, GLUCOIMIDAZOLE | | Authors: | Gloster, T.M, Moracci, M, Vasella, A, Davies, G.J. | | Deposit date: | 2006-02-10 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006
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2V38
 | | Family 5 endoglucanase Cel5A from Bacillus agaradhaerens in complex with cellobio-derived noeuromycin | | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, ENDOGLUCANASE 5A, GLYCEROL, ... | | Authors: | Gloster, T.M, Meloncelli, P.J, Money, V.A, Tarling, C.A, Davies, G.J, Withers, S.G, Stick, R.V. | | Deposit date: | 2007-06-13 | | Release date: | 2007-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | D-Glucosylated Derivatives of Isofagomine and Noeuromycin and Their Potential as Inhibitors of Beta-Glycoside Hydrolases
To be Published
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2W1W
 | | Native structure of a family 35 carbohydrate binding module from Clostridium thermocellum | | Descriptor: | CALCIUM ION, GLYCEROL, LIPOLYTIC ENZYME, ... | | Authors: | Gloster, T.M, Davies, G.J, Correia, M, Prates, J, Fontes, C, Gilbert, H.J. | | Deposit date: | 2008-10-21 | | Release date: | 2009-01-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
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4AZZ
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2WYN
 | | Structure of family 37 trehalase from Escherichia coli in complex with a casuarine-6-O-a-D-glucoside analogue | | Descriptor: | (1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL, CALCIUM ION, PERIPLASMIC TREHALASE, ... | | Authors: | Gloster, T.M, Roberts, S.M, Davies, G.J, Cardona, F, Goti, A, Parmeggiani, C, Parenti, P, Fusi, P, Forcella, M, Cipolla, L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Casuarine-6-O-alpha-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases.
Chem.Commun.(Camb.), 46, 2010
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2WZ8
 | | Family 35 carbohydrate binding module from Clostridium thermocellum | | Descriptor: | CALCIUM ION, CELLULOSOME PROTEIN DOCKERIN TYPE I, MAGNESIUM ION | | Authors: | Gloster, T.M, Davies, G.J, Fontes, C.M, Gilbert, H.J. | | Deposit date: | 2009-11-25 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Signature Active Site Architectures Illuminate the Molecular Basis for Ligand Specificity in Family 35 Carbohydrate Binding Module .
Biochemistry, 49, 2010
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1UZ1
 | | Family 1 b-glucosidase from Thermotoga maritima in complex with isofagomine lactam | | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, BETA-GLUCOSIDASE A | | Authors: | Gloster, T.M, Macdonald, J, Stick, R.V, Davies, G.J. | | Deposit date: | 2004-03-03 | | Release date: | 2004-11-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Common Inhibition of Both -Glucosidases and -Mannosidases by Isofagomine Lactam Reflects Different Conformational Itineraries for Pyranoside Hydrolysis
Chembiochem, 5, 2004
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