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5NCX
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CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH AN COVALENT INHIBITOR
Descriptor:Glucosylceramidase, ~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide, CALCIUM ION, ...
Authors:Davies, G.J., Breen, I.Z.
Deposit date:2017-03-06
Release date:2017-10-04
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Fluorescence Polarization Activity-Based Protein Profiling Assay in the Discovery of Potent, Selective Inhibitors for Human Nonlysosomal Glucosylceramidase.
J. Am. Chem. Soc., 139, 2017
5OST
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BETA-GLUCOSIDASE FROM THERMOANAEROBACTERIUM XYLOLYTICUM GH116 IN COMPLEX WITH GLUCO-1H-IMIDAZOLE
Descriptor:Glucosylceramidase, CALCIUM ION, 1,2-ETHANEDIOL, ...
Authors:Davies, G.J., Offen, W.A.
Deposit date:2017-08-18
Release date:2018-04-11
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Gluco-1 H-imidazole: A New Class of Azole-Type beta-Glucosidase Inhibitor.
J. Am. Chem. Soc., 140, 2018
7TAA
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FAMILY 13 ALPHA AMYLASE IN COMPLEX WITH ACARBOSE
Descriptor:TAKA AMYLASE, MODIFIED ACARBOSE HEXASACCHARIDE, CALCIUM ION
Authors:Davies, G.J., Brzozowski, A.M.
Deposit date:1997-10-06
Release date:1998-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the Aspergillus oryzae alpha-amylase complexed with the inhibitor acarbose at 2.0 A resolution.
Biochemistry, 36, 1997
2VI0
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LICHENASE CTLIC26 IN COMPLEX WITH A THIO-OLIGOSACCHARIDE
Descriptor:Endoglucanase H, METHYL 4-O-(4-THIO-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE, BETA-D-GLUCOSE
Authors:Money, V.A., Ducros, V.M., Davies, G.J.
Deposit date:2007-11-26
Release date:2009-03-10
Last modified:2018-09-19
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
1B65
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STRUCTURE OF L-AMINOPEPTIDASE D-ALA-ESTERASE/AMIDASE FROM OCHROBACTRUM ANTHROPI, A PROTOTYPE FOR THE SERINE AMINOPEPTIDASES, REVEALS A NEW VARIANT AMONG THE NTN HYDROLASE FOLD
Descriptor:PROTEIN (AMINOPEPTIDASE)
Authors:Bompard-Gilles, C., Villeret, V., Davies, G.J., Fanuel, L., Joris, B., Frere, J.M., Van Beeumen, J.
Deposit date:1999-01-20
Release date:1999-07-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A new variant of the Ntn hydrolase fold revealed by the crystal structure of L-aminopeptidase D-ala-esterase/amidase from Ochrobactrum anthropi.
Structure Fold.Des., 8, 2000
1E0V
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XYLANASE 10A FROM SREPTOMYCES LIVIDANS. CELLOBIOSYL-ENZYME INTERMEDIATE AT 1.7 A
Descriptor:ENDO-1,4-BETA-XYLANASE A, 2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDE
Authors:Ducros, V., Charnock, S.J., Derewenda, U., Derewenda, Z.S., Dauter, Z., Dupont, C., Shareck, F., Morosoli, R., Kluepfel, D., Davies, G.J.
Deposit date:2000-04-10
Release date:2001-04-05
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate Specificity in Glycoside Hydrolase Family 10. Structural and Kinetic Analysis of the Streptomyces Lividans Xylanase 10A
J.Biol.Chem., 275, 2000
1E0W
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XYLANASE 10A FROM SREPTOMYCES LIVIDANS. NATIVE STRUCTURE AT 1.2 ANGSTROM RESOLUTION
Descriptor:ENDO-1,4-BETA-XYLANASE A
Authors:Ducros, V., Charnock, S.J., Derewenda, U., Derewenda, Z.S., Dauter, Z., Dupont, C., Shareck, F., Morosoli, R., Kluepfel, D., Davies, G.J.
Deposit date:2000-04-10
Release date:2001-04-05
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substrate Specificity in Glycoside Hydrolase Family 10. Structural and Kinetic Analysis of the Streptomyces Lividans Xylanase 10A
J.Biol.Chem., 275, 2000
1GZ5
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TREHALOSE-6-PHOSPHATE SYNTHASE. OTSA
Descriptor:ALPHA-TREHALOSE-PHOSPHATE SYNTHASE, URIDINE-5'-DIPHOSPHATE, ALPHA-D-GLUCOSE-6-PHOSPHATE, ...
Authors:Gibson, R.P., Turkenburg, J.P., Davies, G.J.
Deposit date:2002-05-15
Release date:2003-02-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Insights Into Trehalose Synthesis Provided by the Structure of the Retaining Glycosyltransferase Otsa
Chem.Biol., 9, 2002
1H6X
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THE ROLE OF CONSERVED AMINO ACIDS IN THE CLEFT OF THE C-TERMINAL FAMILY 22 CARBOHYDRATE BINDING MODULE OF CLOSTRIDIUM THERMOCELLUM XYN10B IN LIGAND BINDING
Descriptor:ENDO-1,4-BETA-XYLANASE Y, CALCIUM ION
Authors:Xie, H., Bolam, D.N., Charnock, S.J., Davies, G.J., Williamson, M.P., Simpson, P.J., Fontes, C.M.G.A., Ferreira, L.M.A., Gilbert, H.J.
Deposit date:2001-06-29
Release date:2002-06-27
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Clostridium Thermocellum Xyn10B Carbohydrate-Binding Module 22-2: The Role of Conserved Amino Acids in Ligand Binding
Biochemistry, 40, 2001
1H6Y
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THE ROLE OF CONSERVED AMINO ACIDS IN THE CLEFT OF THE C-TERMINAL FAMILY 22 CARBOHYDRATE BINDING MODULE OF CLOSTRIDIUM THERMOCELLUM XYN10B IN LIGAND BINDING
Descriptor:ENDO-1,4-BETA-XYLANASE Y, CALCIUM ION
Authors:Xie, H., Bolam, D.N., Charnock, S.J., Davies, G.J., Williamson, M.P., Simpson, P.J., Fontes, C.M.G.A., Ferreira, L.M.A., Gilbert, H.J.
Deposit date:2001-06-29
Release date:2002-06-27
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Clostridium Thermocellum Xyn10B Carbohydrate-Binding Module 22-2: The Role of Conserved Amino Acids in Ligand Binding
Biochemistry, 40, 2001
1OIF
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FAMILY 1 B-GLUCOSIDASE FROM THERMOTOGA MARITIMA
Descriptor:BETA-GLUCOSIDASE, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE
Authors:Gloster, T., Zechel, D., Boraston, A.B., Boraston, C.M., Macdonald, J.M., Tilbrook, D.M., Stick, R.V., Davies, G.J.
Deposit date:2003-06-16
Release date:2003-11-25
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases
J.Am.Chem.Soc., 125, 2003
1OIM
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FAMILY 1 B-GLUCOSIDASE FROM THERMOTOGA MARITIMA
Descriptor:BETA-GLUCOSIDASE A, 1-DEOXYNOJIRIMYCIN
Authors:Gloster, T., Zechel, D.L., Boraston, A.B., Boraston, C.M., Macdonald, J.M., Tilbrook, D.M., Stick, R.V., Davies, G.J.
Deposit date:2003-06-19
Release date:2003-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases
J.Am.Chem.Soc., 125, 2003
1UQT
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TREHALOSE-6-PHOSPHATE FROM E. COLI BOUND WITH UDP-2-FLUORO GLUCOSE.
Descriptor:ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
Authors:Gibson, R.P., Tarling, C.A., Roberts, S., Withers, S.G., Davies, G.J.
Deposit date:2003-10-20
Release date:2003-12-12
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:The donor subsite of trehalose-6-phosphate synthase: binary complexes with UDP-glucose and UDP-2-deoxy-2-fluoro-glucose at 2 A resolution.
J. Biol. Chem., 279, 2004
1UQU
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TREHALOSE-6-PHOSPHATE FROM E. COLI BOUND WITH UDP-GLUCOSE.
Descriptor:ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Gibson, R.P., Tarling, C.A., Roberts, S., Withers, S.G., Davies, G.J.
Deposit date:2003-10-20
Release date:2003-11-13
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:The donor subsite of trehalose-6-phosphate synthase: binary complexes with UDP-glucose and UDP-2-deoxy-2-fluoro-glucose at 2 A resolution.
J. Biol. Chem., 279, 2004
1UZ1
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FAMILY 1 B-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH ISOFAGOMINE LACTAM
Descriptor:BETA-GLUCOSIDASE A, (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE
Authors:Gloster, T.M., Macdonald, J., Stick, R.V., Davies, G.J.
Deposit date:2004-03-03
Release date:2004-11-23
Last modified:2011-07-13
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
1W3J
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FAMILY 1 B-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH TETRAHYDROOXAZINE
Descriptor:BETA-GLUCOSIDASE, TETRAHYDROOXAZINE
Authors:Gloster, T.M., Macdonald, J.M., Tarling, C.A., Stick, R.V., Withers, S.W., Davies, G.J.
Deposit date:2004-07-16
Release date:2004-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural, Thermodynamic, and Kinetic Analyses of Tetrahydrooxazine-Derived Inhibitors Bound to {Beta}-Glucosidases
J.Biol.Chem., 279, 2004
2CBU
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BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH CASTANOSPERMINE
Descriptor:BETA-GLUCOSIDASE A, CASTANOSPERMINE, ACETATE ION, ...
Authors:Gloster, T.M., Davies, G.J., Madsen, R.
Deposit date:2006-01-09
Release date:2006-02-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dissection of Conformationally Restricted Inhibitors Binding to a Beta-Glucosidase.
Chembiochem, 7, 2006
2CBV
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BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH CALYSTEGINE B2
Descriptor:BETA-GLUCOSIDASE A, CALYSTEGINE B2, ACETATE ION
Authors:Gloster, T.M., Madsen, R., Davies, G.J.
Deposit date:2006-01-09
Release date:2006-02-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Dissection of Conformationally Restricted Inhibitors Binding to a Beta-Glucosidase.
Chembiochem, 7, 2006
2CES
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BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH GLUCOIMIDAZOLE
Descriptor:BETA-GLUCOSIDASE A, ACETATE ION, GLUCOIMIDAZOLE, ...
Authors:Gloster, T.M., Roberts, S., Vasella, A., Davies, G.J.
Deposit date:2006-02-10
Release date:2006-09-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006
2CET
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BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH PHENETHYL- SUBSTITUTED GLUCOIMIDAZOLE
Descriptor:BETA-GLUCOSIDASE A, ACETATE ION, (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ...
Authors:Gloster, T.M., Roberts, S., Vasella, A., Davies, G.J.
Deposit date:2006-02-10
Release date:2006-09-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006
2J47
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BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH A IMIDAZOLE-PUGNAC HYBRID INHIBITOR
Descriptor:GLUCOSAMINIDASE, (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, GLYCEROL
Authors:Dennis, R.J., Davies, G.J.
Deposit date:2006-08-25
Release date:2006-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Inhibition of O-Glcnacase by a Gluco-Configured Nagstatin and a Pugnac-Imidazole Hybrid Inhibitor
Chem. Commun., 42, 2006
2J4G
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BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH N-BUTYL- THIAZOLINE INHIBITOR
Descriptor:HYALURONOGLUCOSAMINIDASE, (3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, ACETATE ION, ...
Authors:Dennis, R.J., Davies, G.J.
Deposit date:2006-08-31
Release date:2007-01-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Analysis of Pugnac and Nag-Thiazoline as Transition State Analogues for Human O-Glcnacase: Mechanistic and Structural Insights Into Inhibitor Selectivity and Transition State Poise.
J.Am.Chem.Soc., 129, 2007
2JIW
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BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH 2- ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE
Descriptor:O-GLCNACASE BT_4395, N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE
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
2NLR
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STREPTOMYCES LIVIDANS ENDOGLUCANASE (EC: 3.2.1.4) COMPLEX WITH MODIFIED GLUCOSE TRIMER
Descriptor:PROTEIN (ENDOGLUCANASE (E.C.3.2.1.4)), BETA-D-GLUCOSE, 2-deoxy-2-fluoro-beta-D-glucopyranose, ...
Authors:Sulzenbacher, G., Dupont, C., Davies, G.J.
Deposit date:1998-11-02
Release date:1999-11-10
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The crystal structure of a 2-fluorocellotriosyl complex of the Streptomyces lividans endoglucanase CelB2 at 1.2 A resolution.
Biochemistry, 38, 1999
2OVW
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ENDOGLUCANASE I COMPLEXED WITH CELLOBIOSE
Descriptor:ENDOGLUCANASE I, N-ACETYL-D-GLUCOSAMINE, CELLOBIOSE
Authors:Sulzenbacher, G., Davies, G.J., Schulein, M.
Deposit date:1997-04-04
Release date:1998-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the endoglucanase I from Fusarium oxysporum: native, cellobiose, and 3,4-epoxybutyl beta-D-cellobioside-inhibited forms, at 2.3 A resolution.
Biochemistry, 36, 1997