2VR4
 
 | | Transition-state mimicry in mannoside hydrolysis: characterisation of twenty six inhibitors and insight into binding from linear free energy relationships and 3-D structure | | Descriptor: | (2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2008-03-25 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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2YDT
 | | STRUCTURE OF THE ALPHA-L-ARABINOFURANOSIDASE ARB93A from FUSARIUM Graminearum in complexe with an iminosugar inhibitor | | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL, ACETATE ION, EXO-1,5-ALPHA-L-ARABINOFURANOBIOSIDASE, ... | | Authors: | Goddard-Borger, E.D, Carapito, R, Jeltsch, J.M, Phalip, V, Stick, R.V, Varrot, A. | | Deposit date: | 2011-03-24 | | Release date: | 2011-07-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Alpha-L-Arabinofuranosylated Pyrrolidines as Arabinanase Inhibitors.
Chem.Commun.(Camb.), 47, 2011
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2YDP
 | | Structure of the E242A mutant of the alpha-l-arabinofuranosidase arb93a from fusarium graminearum in complex with an iminosugar inhibitor | | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL, CALCIUM ION, EXO-1,5-ALPHA-L-ARABINOFURANOBIOSIDASE, ... | | Authors: | Goddard-Borger, E.D, Carapito, R, Jeltsch, J.M, Phalip, V, Stick, R.V, Varrot, A. | | Deposit date: | 2011-03-24 | | Release date: | 2011-07-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Alpha-L-Arabinofuranosylated Pyrrolidines as Arabinanase Inhibitors.
Chem.Commun.(Camb.), 47, 2011
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2OYL
 | | Endo-glycoceramidase II from Rhodococcus sp.: cellobiose-like imidazole complex | | Descriptor: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, Endoglycoceramidase II, GLYCEROL, ... | | Authors: | Caines, M.E.C, Strynadka, N.C.J. | | Deposit date: | 2007-02-22 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structural basis of glycosidase inhibition by five-membered iminocyclitols: the clan a glycoside hydrolase endoglycoceramidase as a model system.
Angew.Chem.Int.Ed.Engl., 46, 2007
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2OYM
 | | Endo-glycoceramidase II from Rhodococcus sp.: five-membered iminocyclitol complex | | Descriptor: | Endoglycoceramidase II, N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-4-(DIMETHYLAMINO)BENZAMIDE, SODIUM ION | | Authors: | Caines, M.E.C, Strynadka, N.C.J. | | Deposit date: | 2007-02-22 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The structural basis of glycosidase inhibition by five-membered iminocyclitols: the clan a glycoside hydrolase endoglycoceramidase as a model system.
Angew.Chem.Int.Ed.Engl., 46, 2007
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2OYK
 | | Endo-glycoceramidase II from Rhodococcus sp.: cellobiose-like isofagomine complex | | Descriptor: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside, Endoglycoceramidase II, GLYCEROL, ... | | Authors: | Caines, M.E.C, Strynadka, N.C.J. | | Deposit date: | 2007-02-22 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structural basis of glycosidase inhibition by five-membered iminocyclitols: the clan a glycoside hydrolase endoglycoceramidase as a model system.
Angew.Chem.Int.Ed.Engl., 46, 2007
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1UOZ
 | | Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with thiocellopentaose at 1.1 angstrom | | Descriptor: | 4-thio-beta-D-glucopyranose, GLYCEROL, PUTATIVE CELLULASE, ... | | Authors: | Varrot, A, Leydier, S, Pell, G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2003-09-26 | | Release date: | 2004-11-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Mycobacterium Tuberculosis Strains Possess Functional Cellulases.
J.Biol.Chem., 280, 2005
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1UP3
 | | Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with METHYL-CELLOBIOSYL-4-DEOXY-4-THIO-BETA-D-CELLOBIOSIDE at 1.6 angstrom | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, PUTATIVE CELLULASE CEL6, SULFATE ION, ... | | Authors: | Varrot, A, Leydier, S, Pell, G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2003-09-26 | | Release date: | 2004-11-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mycobacterium Tuberculosis Strains Possess Functional Cellulases.
J.Biol.Chem., 280, 2005
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1UP2
 | | Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with glucose-isofagomine at 1.9 angstrom | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ACETATE ION, ... | | Authors: | Varrot, A, Leydier, S, Pell, G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2003-09-26 | | Release date: | 2004-11-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mycobacterium Tuberculosis Strains Possess Functional Cellulases.
J.Biol.Chem., 280, 2005
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1UZ4
 | | Common inhibition of beta-glucosidase and beta-mannosidase by isofagomine lactam reflects different conformational intineraries for glucoside and mannoside hydrolysis | | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, GLYCEROL, MAN5A, ... | | Authors: | Vincent, F, Davies, G.J. | | Deposit date: | 2004-03-04 | | Release date: | 2004-11-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Common Inhibition of Both Beta-Glucosidases and Beta-Mannosidases by Isofagomine Lactam Reflects Different Conformational Itineraries for Pyranoside Hydrolysis
Chembiochem, 5, 2004
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1UP0
 | | Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with cellobiose at 1.75 angstrom | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ACETATE ION, PUTATIVE CELLULASE CEL6, ... | | Authors: | Varrot, A, Leydier, S, Pell, G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2003-09-26 | | Release date: | 2004-11-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Mycobacterium Tuberculosis Strains Possess Functional Cellulases.
J.Biol.Chem., 280, 2005
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2J7G
 | | Beta-glucosidase from Thermotoga maritima in complex with methyl acetic acid-substituted glucoimidazole | | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | Deposit date: | 2006-10-07 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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2J79
 | | Beta-glucosidase from Thermotoga maritima in complex with galacto- hydroximolactam | | Descriptor: | (2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | Deposit date: | 2006-10-06 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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2J7F
 | | Beta-glucosidase from Thermotoga maritima in complex with carboxylate- substituted glucoimidazole | | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | Deposit date: | 2006-10-07 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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2J7D
 | | Beta-glucosidase from Thermotoga maritima in complex with methoxycarbonyl-substituted glucoimidazole | | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | Deposit date: | 2006-10-06 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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2J7B
 | | Beta-glucosidase from Thermotoga maritima in complex with gluco- tetrazole | | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | Deposit date: | 2006-10-06 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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2J7E
 | | Beta-glucosidase from Thermotoga maritima in complex with methyl acetate-substituted glucoimidazole | | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | Deposit date: | 2006-10-07 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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2J77
 | | Beta-glucosidase from Thermotoga maritima in complex with deoxynojirimycin | | Descriptor: | 1-DEOXYNOJIRIMYCIN, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Gloster, T.M, Zechel, D, Davies, G.J. | | Deposit date: | 2006-10-06 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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2J7C
 | | Beta-glucosidase from Thermotoga maritima in complex with phenylaminomethyl-derived glucoimidazole | | Descriptor: | (5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | Deposit date: | 2006-10-06 | | Release date: | 2006-10-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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2J78
 | | Beta-glucosidase from Thermotoga maritima in complex with gluco- hydroximolactam | | Descriptor: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | Deposit date: | 2006-10-06 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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2JIW
 | | Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with 2- Acetylamino-2-deoxy-1-epivalienamine | | Descriptor: | N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE, O-GLCNACASE BT_4395 | | Authors: | Dennis, R.J, Davies, G.J. | | Deposit date: | 2007-07-02 | | Release date: | 2007-08-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A 1-Acetamido Derivative of 6-Epi-Valienamine: An Inhibitor of a Diverse Group of Beta-N-Acetylglucosaminidases.
Org.Biomol.Chem., 5, 2007
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2VI0
 | | Lichenase CtLic26 in complex with a thio-oligosaccharide | | Descriptor: | 4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside, Endoglucanase H, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Money, V.A, Ducros, V.M, Davies, G.J. | | Deposit date: | 2007-11-26 | | Release date: | 2009-03-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Probing the beta-1,3:1,4 glucanase, CtLic26A, with a thio-oligosaccharide and enzyme variants.
Org. Biomol. Chem., 6, 2008
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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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