1W3J
 
 | | 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: | 2023-12-13 | | 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
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1W3K
 | | ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN COMPLEX WITH CELLOBIO DERIVED-TETRAHYDROOXAZINE | | Descriptor: | ENDOGLUCANASE 5A, GLYCEROL, SULFATE ION, ... | | 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: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural, Thermodynamic, and Kinetic Analyses of Tetrahydrooxazine-Derived Inhibitors Bound to {Beta}-Glucosidases
J.Biol.Chem., 279, 2004
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1W3L
 | | ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN COMPLEX WITH CELLOTRI DERIVED-TETRAHYDROOXAZINE | | Descriptor: | ENDOGLUCANASE 5A, GLYCEROL, SULFATE ION, ... | | 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: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Structural, Thermodynamic, and Kinetic Analyses of Tetrahydrooxazine-Derived Inhibitors Bound to {Beta}-Glucosidases
J.Biol.Chem., 279, 2004
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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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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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1OIF
 | | Family 1 b-glucosidase from Thermotoga maritima | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, BETA-GLUCOSIDASE | | 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: | 2023-12-13 | | 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
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1OIM
 | | Family 1 b-glucosidase from Thermotoga maritima | | Descriptor: | 1-DEOXYNOJIRIMYCIN, BETA-GLUCOSIDASE A | | 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: | 2023-12-13 | | 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
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2CIT
 | | Structure of the covalent intermediate of a family 26 lichenase | | Descriptor: | ENDOGLUCANASE H, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-2-deoxy-2-fluoro-alpha-D-glucopyranose | | Authors: | Money, V.A, Smith, N.L, Scaffidi, A, Stick, R.V, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2006-03-24 | | Release date: | 2006-04-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Substrate Distortion by a Lichenase Highlights the Different Conformational Itineraries Harnessed by Related Glycoside Hydrolases.
Angew.Chem.Int.Ed.Engl., 45, 2006
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2CIP
 | | Structure of the Michaelis complex of a family 26 lichenase | | Descriptor: | 4-METHYL-2H-CHROMEN-2-ONE, ENDOGLUCANASE H, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | | Authors: | Money, V.A, Smith, N.L, Scaffidi, A, Stick, R.V, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2006-03-24 | | Release date: | 2006-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Substrate Distortion by a Lichenase Highlights the Different Conformational Itineraries Harnessed by Related Glycoside Hydrolases.
Angew.Chem.Int.Ed.Engl., 45, 2006
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2BVD
 | | HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A | | Descriptor: | (3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside, ENDOGLUCANASE H | | Authors: | Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J. | | Deposit date: | 2005-06-27 | | Release date: | 2005-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A.
J.Biol.Chem., 280, 2005
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2BV9
 | | HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A | | Descriptor: | ENDOGLUCANASE H | | Authors: | Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J. | | Deposit date: | 2005-06-23 | | Release date: | 2005-06-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A.
J.Biol.Chem., 280, 2005
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2J7H
 | | Beta-glucosidase from Thermotoga maritima in complex with azafagomine | | Descriptor: | ACETATE ION, AZAFAGOMINE, BETA-GLUCOSIDASE A, ... | | Authors: | Gloster, T.M, Meloncelli, P, Stick, R.V, Zechel, D, Davies, G.J. | | Deposit date: | 2006-10-08 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 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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2J75
 | | Beta-glucosidase from Thermotoga maritima in complex with noeuromycin | | Descriptor: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Gloster, T.M, Meloncelli, P, Stick, R.V, Zechel, D, Davies, G.J. | | Deposit date: | 2006-10-06 | | Release date: | 2006-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 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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1OCN
 | | Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with a cellobio-derived isofagomine at 1.3 angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, CALCIUM ION, ... | | Authors: | Varrot, A, Macdonald, J, Stick, R.V, Pell, G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2003-02-09 | | Release date: | 2003-05-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Distortion of a Cellobio-Derived Isofagomine Highlights the Potential Conformational Itinerary of Inverting Beta-Glucosidases
Chem.Commun.(Camb.), 21, 2003
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1OD0
 | | Family 1 b-glucosidase from Thermotoga maritima | | Descriptor: | BETA-GLUCOSIDASE A | | 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: | 2003-02-12 | | Release date: | 2003-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.11 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
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1OIN
 | | Family 1 b-glucosidase from Thermotoga maritima | | Descriptor: | 2-deoxy-2-fluoro-alpha-D-glucopyranose, BETA-GLUCOSIDASE A | | 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: | 2023-12-13 | | 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
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1OCQ
 | | COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.08 ANGSTROM RESOLUTION with cellobio-derived isofagomine | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDOGLUCANASE 5A, GLYCEROL, ... | | Authors: | Varrot, A, Macdonald, J, Stick, R.V, Withers, S.G, Davies, G.J. | | Deposit date: | 2003-02-09 | | Release date: | 2003-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Direct Observation of the Protonation State of an Imino Sugar Glycosidase Inhibitor Upon Binding
J.Am.Chem.Soc., 125, 2003
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2VOT
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.N, Offen, W.A, Smith, N, Dumon, C, Moreland, C, Gratien, J, Heck, M.-P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2008-02-20 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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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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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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2VJX
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, 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: | 2007-12-14 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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2VQT
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)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: | 2008-03-18 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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2VL4
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 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: | 2008-01-08 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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2VQU
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-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: | 2008-03-18 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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