Professor Gideon Davies Publications

2011 2010 2009 2008 2007 2006 2005 2004 2003 2002 2001

2011

Building Custom Polysaccharides in Vitro with an Efficient, Broad-Specificity Xyloglucan Glycosynthase and a Fucosyltransferase.
O Spadiut, F M Ibatullin, J Peart, F Gullfot, C Martinez-Fleites, M Ruda, C Xu, G Sundqvist, G J Davies and H Brumer. J Am Chem Soc, 2011, 133, 10892–10900.
Insights into the oxidative degradation of cellulose by a copper metalloenzyme that exploits biomass components to cleave cellulose.
R J Quinlan, M D Sweeney, L L Leggio, H Otten, J-C N Poulsen, K S Johansen, K B R M Krogh, C I Jørgensen, M Tovborg, A Anthonsen, T Tryfona, C P Walter, P Dupree, F Xu, G J Davies and P H Walton. Proc Natl Acad Sci (USA), 2011, in press.
Substrate and metal-ion promiscuity in mannosylglycerate synthase.
M M Nielsen, M D L Suits, M Yang, C S Barry, C Martinez-Fleites, L E Tailford, J E Flint, C Dumon, B G Davis, H J Gilbert and G J Davies. J Biol Chem, 2011, 286, 15155-15164.
Mechanistic evidence for a front-side, SNi-type reaction in a retaining glycosyltransferase.
S S Lee, S Y Hong, J C Errey, A Izumi, G J Davies and B G Davis. Nature Chem Biol, 2011 7, 631–638.
Structural and enzymatic characterisation of a Glycoside Hydrolase Family 31 α-xylosidase from Cellvibrio japonicus involved in xyloglucan saccharification.
J Larsbrink, A Izumi, F Ibatullin, A Nakhai, H J Gilbert, G J Davies and H Brumer. Biochem J, 2011, 436, 567-580.
Inhibition of a bacterial O-GlcNAcase homologue by lactone and lactam derivatives: structural, kinetic and thermodynamic analyses.
Y He, A K Bubb, K A Stubbs, T M Gloster and G J Davies. Amino Acids, 2011, 40, 829-839.
Conformational analyses of the reaction coordinate of glycosidases.
G J Davies, A Planas and C Rovira. Accounts Chem Res, 2011, in press.
Structure and activity of a Paenibacillus polymyxa xyloglucanase from glycoside hydrolase family 44.
A Ariza, J M Eklöf, O Spadiut, W A Offen, S M Roberts, W Besenmatter, E P Friis, M Skjøt, K S Wilson, H Brumer and G Davies. J Biol Chem, 2011, papers in press (JBC/2011/262345).

2010

Mechanistic insights into a calcium-dependent family of α-mannosidases in a human gut symbiont.
Y Zhu, M D Suits, A J Thompson, S Chavan, Z Dinev, C Dumon, N Smith, K Moremen, Y Xiang, A Siriwardena, S J Williams, H J Gilbert and G J Davies, 2010, Nature Chem Biol, 6, 125-132.
Structure and kinetic investigation of Streptococcus pyogenes family GH38 α-mannosidase.
M D L Suits, Y Zhu, E J Taylor, J Walton, D L Zechel, H J Gilbert and G J Davies, 2010, PLOS One, 5, e9006.
Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules.
C Montanier, J E Flint, D N Bolam, H Xie, Z Liu, A Rogowski, D Weiner, S Ratnaparkhe, D Nurizzo, S M Roberts, J P Turkenburg, G J Davies and H J Gilbert, 2010, J Biol Chem, 285, 31742-31754.
Structural analyses of enzymes involved in the O-GlcNAc modification.
C Martinez-Fleites, Y He and G J Davies, 2010, Biochim Biophys Acta, 1800, 122-133.
Chitinase inhibition by chitobiose– and chitotriose–thiazolines.
J M Macdonald, C A Tarling, E J Taylor, R J Dennis, D S Myers, S Knapp, G J Davies and S G Withers, 2010, Angew Chemie Int Ed, 49, 2599 - 2602.
Inhibition of O-GlcNAcase Using a Potent and Cell-Permeable Inhibitor Does Not Induce Insulin Resistance in 3T3-L1 Adipocytes.
M S Macauley, Y He, T M Gloster, K A Stubbs, G J Davies and D J Vocadlo, 2010, Chem & Biol, 17, 937-948.
Structural and thermodynamic analyses of α-L-fucosidase inhibitors.
A Lammerts van Bueren, S Popat, C-H Lin and G J Davies, 2010, ChemBioChem, 11, 1971-1974.
Analysis of the reaction coordinate of α-L fucosidases: a combined structural and quantum mechanical approach.
A Lammerts van Bueren, A Ardèvol, J Fayers-Kerr, B Luo, Y Zhang, M Sollogoub, Y Blériot, C Rovira and G J Davies, 2010, J Am Chem Soc, 132, 1804-1806.
The structure of a family GH25 lysozyme from Aspergillus fumigatus.
J E Korczynska, S Danielsen, U Schagerlöf, J P Turkenburg, G J Davies, K S Wilson and E J Taylor, 2010, Acta Crystallogr F, 66, 973-977.
Visualizing the reaction coordinate of an O-GlcNAc hydrolase.
Y He, M S Macauley, K A Stubbs, D J Vocadlo and G J Davies, 2010, J Am Chem Soc, 132, 1807-1809.
Glycosidase inhibition: Assessing mimicry of the transition state.
T M Gloster and G J Davies, 2010, Org Biomol Chem, 8, 305-320.
Mechanistic insight into enzymatic glycosyl transfer with retention of configuration through analysis of glycomimetic inhibitors.
J C Errey, S S Lee, R P Gibson, C M Fleites, C S Barry, P M J Jung, A O'Sullivan, B G Davis and G J Davies, 2010, Angew Chemie Int Ed, 49, 1234-1237.
The O-GlcNAc modification: 3-D structure, enzymology and the development of selective inhibitors to probe disease.
G J Davies and C Martinez-Fleites, 2010, Biochemsoc Trans, 38, 1179-1188.
Signature Active Site Architectures Illuminate the Molecular Basis for Ligand Specificity in Family 35 Carbohydrate Binding Module.
M A S Correia, D W Abbott, T M Gloster, V O Fernandes, J A M Prates, C Montainer, C Dumon, M P Williamson, R B Tunnicliffe, Z Liu, J E Flint, G J Davies, B Henrissat, P M Coutinho, C M G A Fontes and H J Gilbert, 2010, Biochemistry, 49, 6193-6205.
Casuarine-6-O-α-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases.
F Cardona, A Goti, C Parmeggiani, P Parenti, M Forcella, P Fusi, L Cipolla, S M Roberts, G J Davies and T Gloster, 2010, Chem Commun, 46, 2629-2631.

2009

Structure of a Pullulanase from Bacillus acidopullulyticus at 1.5 Å resolution.
J P Turkenburg, A M Brzozowski, A Svendsen, T V Borchert, G J Davies and K S Wilson, Prot Struct Funct Bioinf, 2009, 76, 516-519.
Understanding how diverse β-mannanases recognise heterogeneous substrates.
L E Tailford, V M-A Ducros, J E Flint, S M Roberts, C Morland, D L Zechel, N Smith, M E Bjornvad, T V Borchert, K S Wilson, G J Davies and H J Gilbert, Biochemistry, 2009, 48, 7009–7018.
Structure of the Michaelis complex of β-mannosidase, Man2A, provides insight into the conformational itinerary of mannoside hydrolysis.
W A Offen, D L Zechel, S G Withers, H J Gilbert and G J Davies, Chem Commun, 2009, 2484-2486.
Evolution of a family of carbohydrate esterases reveals dual catalytic and non-catalytic functions.
C Montainer, V A Money, V M R Pires, B A Pinheiro, A Goyal, J A M Prates, J E Flint, A Izumi, H Stålbrand, D N Bolam, E Topakas, E J Dodson, G J Davies, C M G A Fontes and H J Gilbert, PLOS Biol 2009, 7, e1000071.
Evidence that family 35 carbohydrate binding modules display conserved specificity but divergent function.
C Montainer, A Lammerts van Bueren, C Dumon, J E Flint, M A Correia, J A Prates, S J Firbank, R J Lewis, G G Grondin, M G Ghinet, T M Gloster, C Herve, J P Knox, B G Talbot, J P Turkenburg, J Kerovuo, R Brzezinski, C M G A Fontes, G J Davies, A B Boraston and H J Gilbert, Proc Natl Acad Sci (USA), 2009, 106, 3065–3070.
The crystal structure of a family GH-25 lysozyme from Bacillus anthracis implies a neighboring-group catalytic mechanism with retention of anomeric configuration.
C Martinez-Fleites, J E Korczynska, G J Davies, M J Cope, J P Turkenburg and E J Taylor, Carbohydr Res, 2009, 344, 1753-1757.
Molecular Basis for Inhibition of GH84 Glycoside Hydrolases by Substituted Azapenes: Conformational Flexibility Enables Probing of Substrate Distortion.
F Marcelo, Y He, S A Yuzwa, L Nieto, J Jiménez-Barbero, M Sollogoub, D J Vocadlo, G J Davies and Y Blériot, J Am Chem Soc, 2009, 131, 5390–5392.
The X-ray crystal structure of an Arthrobacter protophormiae Endo-β-N-acetylglucosaminidase reveals a (β/α)8 catalytic domain, two ancillary domains and active site residues key for transglycosylation activity.
Z Ling, M L Suits, R J Bingham, N C Bruce, G J Davies, A J Fairbanks, J W B Moir and E J Taylor, J Mol Biol, 2009, 389, 1-9.
Structural insight into the mechanism of streptozotocin inhibition of O-GlcNAcase.
Y He, C Martinez-Fleites, A Bubb, T M Gloster and G J Davies, Carbohydr Res, 2009, 344, 627-631.
Functional characterization of xyloglucan glycosynthases from GH7, GH12 and GH16 scaffolds.
F Gullfot, F M Ibatullin, G Sundqvist, G J Davies and H Brumer, Biomacromolecules, 2009, 10, 1782–1788.
The chitopentaose complex of a mutant hen egg white lysozyme displays no distortion of the -1 sugar away from a ⁴C₁ chair conformation.
G J Davies, S G Withers and D J Vocadlo, Aus J Chem, 2009, 62, 528-532.
Total Syntheses of Casuarine and its 6-O-a-Glucoside: Complementary Inhibition towards Glycoside Hydrolases of Families GH31 and GH37.
F Cardona, C Parmeggiani, C Bonaccini, P Gratteri, D Rose, L Sim, S Roberts, G J Davies, T Gloster and A Goti, Chemistry Eur J, 2009, 15, 1627-1636.
Insight into a strategy for attenuating AmpC-mediated β-lactam resistance: structural basis for selective inhibition of the glycoside hydrolase NagZ.
M D Balcewich, K A Stubbs, Y He, T W James, G J Davies, D J Vocadlo and B L Mark, Protein Science, 2009, 18, 1541-1551.
Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring.
M Aguilar-Moncayo, T M Gloster, J P Turkenburg, M I García-Moreno, C O Mellet, G J Davies and J M G Fernández, Org Biomol Chem, 2009, 7, 2738-2747

2008

Elevation of global O-GlcNAc levels in 3T3-L1 adipocytes by selective inhibition of O-GlcNAcase does not induce insulin resistance.
M S Macauley, A Bubb, C Martinez-Fleites, G J Davies and D J Vocadlo, J Biol Chem, 2008, 283, 34687-34695.
A potent mechanism-inspired O-GlcNAcase inhibitor that blocks phosphorylation of tau in vivo.
S A Yuzwa, M S Macauley, J E Heinonen, X Shan, R J Dennis, Y He, G E Whitworth, K A Stubbs, E J McEachern, G J Davies and D J Vocadlo, Nature Chemical Biology, 2008, 4, 483-490.
Mechanistic Insights into Glycosidase Chemistry.
D Vocadlo and G J Davies, Curr Opin Chem Biol, 2008, 12, 539-555.
Structural and biochemical evidence for a boat-like transition state in ß-mannosidases.
L N Tailford, W A Offen, N L Smith, C Dumon, C Morland, J Gratien, M-P Heck, R V Stick, Y Blériot, A Vasella, H J Gilbert and G J Davies, Nature Chem Biol, 2008, l 4, 306-312.
Crystal Structure of a family GT4 glycosyltransferase from Bacillus anthracis ORF BA1558.
K M Ruane, G J Davies and C Martinez-Fleites, Prot Struct Funct Bioinf, 2008, 73. 784-787.
The Clostridium cellulolyticum dockerin displays a dual binding mode for its cohesin partner.
B A Pinheiro, M R Proctor, C Martinez-Fleites, J A M Prates, V A Money, G J Davies, E A Bayer, H-P Fierobe, C M G A Fontes and H J Gilbert, J Biol Chem, 2008,. 283, 18422- 8430.
Probing the ß-1,3:1,4 glucanase, CtLic26A, with a thio-oligosaccharide and enzyme variants.
V Money, A Cartmell, C I P D Guerreiro, V M-A Ducros, C M G A Fontes, H J Gilbert and G J Davies, Org Biomol Chem, 2008. 6, 851-853.
Structure of an O-GlcNAc transferase homolog provides insight into intracellular glycosylation.
C Martinez-Fleites, M S Macauley, Y He, D L Shen, D J Vocadlo and G J Davies, Nature Struct Mol Biol, 2008, 15, 764-765.
Glycosyltransferase Structures, Functions and Mechanisms.
L Lairson, B Henrissat, G J Davies and S G Withers, Ann Rev Biochem, 2008. 77, 521-555.
Divergence of catalytic mechanism within a glycosidase family provides insight into the evolution of carbohydrate metabolism by human gut flora.
T M Gloster, J P Turkenburg, J R Potts, B Henrissat and G J Davies, Chemistry & Biology, 2008, 15, 1058-1067.
Sorting the diverse: the sequence-based classifications of carbohydrate-active enzymes.
G J Davies and M L Sinnott, Biochem J., 2008, DOI 10.1042/BJ20080382 (online only).
Chemistry’s prodigal child; enzyme mechanism.
G J Davies and J H Naismith, Curr Op Chem Biol, 2008, 12, 529-531.
The Cellvibrio japonicus mannanase CjMan26c displays a unique exo-mode of action that is conferred by subtle changes to the distal region of the active site.
A Cartmell, E Topakas, V M-A Ducros, M D Suits, G J Davies and H J Gilbert, J Biol Chem, 2008, 283, 34403-3413.
Ring-Modified Calystegine B2 Analogues as Glycosidase Inhibitors: Synthesis, Evaluation and Structural Analysis in Complex with a Clan GH-A ß-Glucosidase.
M Aguilar, T M Gloster, M I García-Moreno, C O Mellet, G J Davies, A Llebaria, J Casas, M Egido-Gabás and J M G Fernandez, ChemBioChem, 2008, 9, 2612-2618 .

2007

Characterization and engineering of the bifunctional N- and O-glucosyltransferase involved in xenobiotic metabolism in plants.
M Brazier-Hicks, W A Offen, M C Gershater, T N Revett, E-K Lim, D J Bowles, G J Davies and R Edwards, Proc Natl Acad Sci (USA), 2007, 104, 20238-20243.
The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering.
D N Bolam, S Roberts, M R Proctor, J P Turkenburg, E J Dodson, C Martinez-Fleites, M Yang, B G Davis, G J Davies and H Gilbert, Proc Natl Acad Sci (USA), 2007, 104, 5336-5341.
Evidence for a dual binding mode of dockerin modules to cohesins.
A L Carvalho, F M V Dias, T Nagy, J A M Prates, M R Proctor, N Smith, E A Bayer, G J Davies, L M A Ferreira, M J Romão, C M G A Fontes and H J Gilbert, Proc Natl Acad Sci (USA), 2007, 104, 3089-3094 .
Glycosidase inhibition: an assessment of the binding of eighteen putative transition-state mimics.
T M Gloster, P Meloncelli, R Stick, D Zechel, A Vasella and G J Davies, J Am Chem Soc, 2007, 129, 2345-2354.
Analysis of PUGNAc and NAG-thiazoline as transition state analogues for human O-GlcNAcase: Structural and mechanistic insights into inhibitor selectivity and transition state poise.
G E Whitworth, M S Macauley, K A Stubbs, R J Dennis, E J Taylor, G J Davies, I R Greig and D J Vocadlo, J Am Chem Soc, 2007, 129, 635-644.
Molecular basis for trehalase inhibition revealed by the structure of trehalase in complex with potent inhibitors.
R P Gibson, T M Gloster, S Roberts, R A J Warren, I S d Gracia, Á García, J L Chiara and G J Davies, Angew Chem Int Ed, 2007, 46, 4115-4119.
Discovery of a glycosynthase-catalyst for the synthesis of flavonoid glycosides.
M Yang, G J Davies and B G Davis, Angew Chem Int Ed, 2007, 46, 3885-3888.
Characterisation and 3-D structures of two distinct bacterial xyloglucanases from families GH5 and GH12.
T M Gloster, F M Ibatullin, K Macauley, J M Eklöf, S Roberts, J P Turkenburg, M E Bjørnvad, P L Jørgensen, S Danielsen, K S Johansen, T V Borchert, K S Wilson, H Brumer and G J Davies, J Biol Chem, 2007. 282, 19177-19189.
Mannose foraging by Bacteroides thetaiotaomicron: structure and specificity of the ß-mannosidase, Man2a.
L E Tailford, V A Money, N L Smith, C Dumon, G J Davies and H J Gilbert, J Biol Chem, 2007, 282, 11291 - 11299.
Structural basis for cyclophellitol inhibition of a β-glucosidase.
T M Gloster, R Madsen and G J Davies, Org BioMol Chem, 2007, 5, 444-446.
Structure of a carbohydrate esterase from Bacillus anthracis.
L Oberbarnscheidt, E J Taylor, G J Davies and T M Gloster, Prot Struct Funct Bioinf, 2007, 66, 250-252.
D-Glucosylated derivatives of isofagomine and noeuromycin and their potential as Inhibitors of ß-glycoside hydrolases.
P J Meloncelli, T M Gloster, V A Money, C A Tarling, G J Davies, S G Withers and R V Stick, Aus J Chem, 2007, 60, 549-565.
A 1-acetamido derivative of 6-epivalienamine: an inhibitor of a diverse array of ß-N-acetylglucosaminidases.
A Scaffidi, K A Stubbs, R J Dennis, E J Taylor, G J Davies, D J Vocadlo and R V Stick, 2007, Org Biomol Chem, 5, 3013-3019.

2006

Structural insight into the ligand specificity of a thermostable family 51 arabinofuranosidase, Araf51, from Clostridium thermocellum.
E J Taylor, N L Smith, J P Turkenburg, S D'Souza, H J Gilbert and G J Davies, Biochemical Journal, 2006, 395, 31-37.
Structure and activity of two metal-ion dependent acetyl xylan esterases involved in plant cell-wall degradation reveals a close similarity to peptidoglycan deacetylases.
E J Taylor, T M Gloster, J P Turkenburg, F Vincent, A M Brzozowski, C Dupont, F Shareck, M S J Centeno, J A M Prates, L M A Ferreira, V Puchart, C M G A Fontes, P Biely and G J Davies, J Biol Chem, 2006, 281, 10968-10975.
Analysis of a group A streptococcal glycoside hydrolase from family 84 reveals it is a β-N-acetylglucosaminidase and not a hyaluronidase.
W L Sheldon, M S Macauley, E J Taylor, C E Robinson, S J Charnock, G J Davies, D J Vocadlo and G W Black, Biochem J, 2006, 399, 241-247.
Inhibition of O-GlcNAcase by a gluco-configured Nagstatin and a PUGNAc-Nagstatin-Hybrid Inhibitor.
B Shanmugasundaram, A Debowski, R J Dennis, G J Davies, D J Vocadlo and A Vasella, Chem Commun, 2006, 4372-4374.
Structure of a flavonoid glucosyltransferase reveals the basis for plant natural product modification.
W Offen, C Martinez-Fleites, M Yang, E Kiat-Lim, B G Davis, C A Tarling, C M Ford, D J Bowles and G J Davies, EMBO Journal, 2006, 25, 1396-1405.
Substrate distortion by a lichenase highlights the different conformational itineraries harnessed by related glycoside hydrolases.
V A Money, N L Smith, A Scaffidi, R V Stick, H J Gilbert and G J Davies, Angew Chem Int Ed, 2006, 45, 5136-5140.
Insights into the synthesis of lipopolysaccharide and antibiotics through the structures of two retaining glycosyltransferases from family GT4.
C Martinez-Fleites, M Proctor, S Roberts, D N Bolam, H J Gilbert and G J Davies, Chem Biol, 2006, 13, 1143-1152.
Crystal Structures of Clostridium thermocellum Xyloglucanase, Xgh74A, Reveal the Structural Basis for Xyloglucan Recognition and Degradation.
C Martinez-Fleites, C I P D Guerreiro, M J Baumann, E J Taylor, J A M Prates, L M A Ferreira, C M G A Fontes, H Brumer and G J Davies, J Biol Chem, 2006, 281, 24922-24933.
Family 6 Carbohydrate Binding Modules in β-Agarases Display Exquisite Selectivity for the Non-Reducing Termini of Agarose-derived oligosaccharides.
J Henshaw, A Horne-Bitschy, A L v Bueren, V A Money, D N Bolam, M Czjzek, N A Ekborg, R M Weiner, S W Hutcheson, G J Davies, A B Boraston and H J Gilbert, J Biol Chem, 2006, 281, 17099-17107.
Structural, kinetic, and thermodynamic analysis of glucoimidazole-derived glycosidase inhibitors.
T M Gloster, S Roberts, G Perugino, M Rossi, M Moracci, N Panday, M Terinek, A Vasella and G J Davies, Biochemistry, 2006, 45, 11879-11884.
Dissection of conformationally restricted inhibitors binding to a β-glucosidase.
T M Gloster, R Madsen and G J Davies, Chembiochem, 2006, 7, 738-742.
Structure and mechanism of a bacterial b -glucosaminidase having O-GlcNAcase activity.
R J Dennis, E J Taylor, M S Maculey, K A Stubbs, J P Turkenburg, S J Hart, G Black, D J Vocadlo and G J Davies, Nat Struct Mol Biol, 2006, 13, 365-371.

2005

Structure and kinetics of a monomeric glucosamine-6-phosphate deaminase: missing link of the NagB superfamily?
F Vincent, G J Davies and J A Brannigan, J Biol Chem, 2005, 280, 19649-19655.
NAD+ and metal-ion dependent hydrolysis by Family 4 glycosidases: structural insight into specificity for phospho-β-D-glucosides.
A Varrot, V L Y Yip, Y Li, S S Rajan, X Yang, W Anderson, J Thompson, S G Withers and G J Davies, J Mol Biol, 2005, 346, 423-435.
Mycobacterium tuberculosis strains possess functional cellulases.
A Varrot, S Leydier, G Pell, J M Macdonald, R V Stick, H J Gilbert and G J Davies, J Biol Chem (accelerated), 2005, 280, 20181-20184.
How family 26 glycoside hydrolases orchestrate catalysis on different polysaccharides. Structure and activity of a Clostridium thermocellum lichenase, CtLic26a.
E J Taylor, A Goyal, C I P D Guerreiro, J A M Prates, V Money, N Ferry, C Morland, A Planas, J A Macdonald, R V Stick, H J Gilbert, C M G A Fontes and G J Davies, J Biol Chem, 2005, 280, 32761 - 32767.
Molecular determinants of substrate specificity in the feruloyl esterase module of xylanase 10B from Clostridium thermocellum.
N Tarbouriech, J A M Prates, C M G A Fontes and G J Davies, Acta Crystallogr D: Biol Crystallogr, 2005, 61, 194-197.
Structure of a group A streptococcal phage-encoded virulence factor reveals a catalytically-active triple-stranded β-helix.
N L Smith, E J Taylor, A-M Lindsay, S J Charnock, J P Turkenburg, E J Dodson, G J Davies and G W Black, Proc Natl Acad Sci (USA), 2005, 102, 17652-17657.
Tailored catalysts for plant cell-wall degradation: redesigning the exo/endo preference of the Cellvibrio japonicus arabinanase 43A.
M Proctor, E J Taylor, D Nurizzo, J P Turkenburg, R M Lloyd, M Vardakou, G J Davies and H J Gilbert, Proc Natl Acad Sci (USA), 2005, 102, 2697-2702.
Crystal structure of levansucrase from the Gram-negative bacterium Gluconacetobacter diazotrophicus.
C Martínez-Fleites, M Ortíz-Lombardía, T Pons, N Tarbouriech, E J Taylor, L Hernández and G J Davies, Biochem J, 2005, 390, 19-27.
Structural dissection and high-throughput screening of mannosylglycerate synthase.
J Flint, E Taylor, M Yang, D N Bolam, L E Tailford, C Martinez-Flietes, E J Dodson, B G Davis, H J Gilbert and G J Davies, Nature Struct Mol Biol, 2005, 12, 608-614.
Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules.
J Flint, D N Bolam, D Nurizzo, E J Taylor, M P Williamson, C Walters, G J Davies and H J Gilbert, J Biol Chem, 2005, 280, 20181-20184.
Recent structural insights into the expanding world of carbohydrate-active enzymes.
G J Davies, T M Gloster and B Henrissat, Curr Op Struct Biol, 2005, 15, 637-645.
Structure of a Bacillus halmapalus family 13 a-amylase, BHA, in complex with an acarbose-derived nonasaccharide at 2.1 Å resolution.
G J Davies, A M Brzozowski, Z Dauter, M D Rasmussen, T V Borchert and K S Wilson, Acta Crystallogr D: Biol Crystallogr, 2005, 61, 190-193.
Insights into the structural determinants of cohesin-dockerin specificity revealed by the crystal structure of the type II cohesin from Clostridium thermocellum SdbA.
A L Carvalho, V M R Pires, T M Gloster, J P Turkenburg, J A M Prates, L M A Ferreira, M J Romão, G J Davies, H J Gilbert and C M G A Fontes, J Mol Biol, 2005, 349, 909-915.

2004

An unusual mechanism of glycoside hydrolysis involving redox and elimination-steps by a family 4 Β-glycosidase from Thermatoga maritima.
V L Y Yip, A Varrot, G J Davies, S S Rajan, X Yang, J Thompson, W F Anderson and S G Withers, J Am Chem Soc, 2004, 126, 8354-8355.
A master of its sulfate.
S J Williams and G J Davies, Nat Struct Mol Biol, 2004, 11, 686-688.
The 3-D structure of the N-acetylglucosamine-6-phosphate deacetylase, NagA, from Bacillus subtilis: a member of the urease superfamily.
F Vincent, D Yates, E Garman, G J Davies and J A Brannigan, J. Biol. Chem., 2004, 279, 2809-2816.
Common inhibition of both β-glucosidase and β-mannosidase by isofagomine lactam reflects different conformational itineraries for pyranoside hydrolysis.
F Vincent, T M Gloster, J Macdonald, C Morland, R V Stick, F M V Dias, J A M Prates, C M G A Fontes, H J Gilbert and G J Davies, ChemBioChem, 2004, 5, 1596-1599.
NAD-dependent hydrolysis by Family 4 glycosidases involves a novel elimination mechanism.
S S Rajan, X Yang, F Collart, V L Y Yip, S G Withers, A Varrot, J Thompson, G J Davies and W F Anderson, Structure, 2004, 12, 1619-1629.
The mechanisms by which family 10 glycoside hydrolases bind decorated substrates.
G Pell, E J Taylor, T M Gloster, J P Turkenburg, C M G A Fontes, L M A Ferreira, T Nagy, S J Clark, G J Davies and H J Gilbert, J Biol Chem, 2004, 279, 9597-9605.
Structural and biochemical analysis of Cellvibrio japonicus xylanase 10C: how variation in substrate-binding cleft influences the catalytic profile of family GH-10 xylanases.
G Pell, L Szabo, S J Charnock, H Xie, T M Gloster, G J Davies and H J Gilbert, J Biol Chem, 2004, 279, 11777-11788.
Crystallization and preliminary X-ray diffraction analysis of levansucrase (LsdA) from Gluconacetobacter diazotrophicus SRT4.
C Martínez-Fleites, N Tarbouriech, M Ortiz-Lombardia, E Taylor, A Rodríguez, R Ramírez, L Hernández and G Davies, Acta Crystallogr D: Biol Crystallogr, 2004, 60, 181-183.
X-ray crystal structure of a non-crystalline cellulose specific carbohydrate-binding module: CBM28.
S Jamal, D Nurizzo, A B Boraston and G J Davies, J Mol Biol, 2004, 339, 253-258.
Ab initio Structure Determination and Functional Characterization Of CBM36: A New Family Of Calcium Dependent Carbohydrate-Binding Modules.
S Jamal, A B Boraston, J P Turkenburg, N Tarbouriech, V M-A Ducros and G J Davies, Structure, 2004, 12, 1177-1187.
Structural studies of the β-glucosidase from Sulfolobus solfataricus in complex with covalently and non-covalently bound inhibitors.
T M Gloster, S Roberts, V M-A Ducros, M Moracci, R Hoos, A Vasella and G J Davies, Biochemistry, 2004, 43, 6101-6109.
Structural, thermodynamic and kinetic analysis of tetrahydrooxazine-derived inhibitors bound to β-glucosidases.
T M Gloster, J M Macdonald, C A Tarling, R V Stick, S G Withers and G J Davies, J Biol Chem, 2004, 279, 49236-49242.
Atomic resolution analyses of the binding of xylobiose-derived deoxynojirimycin and isofagomine to Xyn10A.
T Gloster, S J Williams, S Roberts, C A Tarling, J Wicki, S G Withers and G J Davies, Chem Commun, 2004, 1794-1795.
The donor subsite of trehalose-6-phosphate synthase: binary complexes with UDP-glucose and UDP-2-deoxy-2-fluoro glucose at 2Å resolution.
R Gibson, C A Tarling, S Roberts, S G Withers and G J Davies, J Biol Chem, 2004, 279, 1950-1955.
Ligand-mediated dimerisation of a carbohydrate-binding module reveals a novel mechanism for protein-carbohydrate recognition.
J Flint, D Nurizzo, S Harding, E Long, G J Davies, H J Gilbert and D N Bolam, J Mol Biol, 2004, 337, 417-426.
Insights into the molecular determinants of substrate specificity in glycoside hydrolase family 5 revealed by the crystal structure and kinetics of Cellvibrio mixtus mannosidase 5A.
F M V Dias, F Vincent, G Pell, J A M Prates, M S J Centeno, L E Tailford, L M A Ferreira, C M G A Fontes, G J Davies and H J Gilbert, J Biol Chem, 2004, 279, 25517-25526.
Carbohydrate-Binding Modules: Fine Tuning Polysaccharide Recognition.
A B Boraston, D N Bolam, H J Gilbert and G J Davies, Biochem J, 2004, 382, 769-781.
The use forced protein evolution to investigate and improve stability of family 10 xylanases: the production of Ca²⁺ independent stable xylanases.
S Andrews, E J Taylor, G N Pell, F Vincent, V M-A Ducros, G J Davies, J H Lakey and H J Gilbert, J Biol Chem, 2004, 279, 54369-54379.

2003

Iminosugar glycosidase inhibitors: Structural and thermodynamic dissection of the binding of isofagomine and 1-deoxynojirimycin to two β-glucosidases.
D L Zechel, A B Boraston, T M Gloster, C M Boraston, J M Macdonald, M G Tilbrook, R V Stick and G J Davies, J Am Chem Soc, 2003, 125, 14313-14323.
Multifunctional xylooligosaccharide / cephalosporin C deacetylase revealed by the hexameric structure of the Bacillus subtilis enzyme at 1.9Å resolution.
F Vincent, S J Charnock, K H G Verschueren, J P Turkenburg, D J Scott, W A Offen, S Roberts, G Pell, H J Gilbert, G J Davies and J A Brannigan, J Mol Biol, 2003, 330, 593-606.
Direct observation of the protonation of an imino-sugar glycosidase inhibitor upon binding revelealed by the 1Å structure of Cel5A with a cellobio-derived isofagomine.
A Varrot, C A Tarling, J Macdonald, R V Stick, D Zechel, S G Withers and G J Davies, J Am Chem Soc, 2003, 125, 7496-7497.
Distortion of a cellobio-derived isofagomine highlights the potential conformational itinerary of inverting b -glucosidases.
A Varrot, J Macdonald, R V Stick, G Pell, H J Gilbert and G J Davies, Chem Commun, 2003, 946-947.
Structural basis for ligand binding and processivity in cellobiohydrolase Cel6A from Humicola insolens.
A Varrot, T P Frandsen, I von Ossowski, V Boyer, H Driguez, M Schülein and G J Davies, Structure, 2003, 11, 855-864.
Direct experimental observation of the hydrogen-bonding network of a glycosidase along its reaction coordinate revealed by atomic resolution analyses of endoglucanase Cel5A.
A Varrot and G J Davies, Acta Crystallogr D: Biol Crystallogr, 2003, 59, 447-452.
The α-glucuronidase, GlcA67A, of Cellvibrio japonicus utilises the carboxylate and methyl groups of aldotriouronic acid as important substrate recognition determinants.
T Nagy, D Nurizzo, G J Davies, P Biely, J H Lakey, H J Gilbert and D N Bolam, J Biol Chem, 2003, 278, 20286-20292.
Expansion of the Glycosynthase Repertoire to Produce Defined Manno-Oligosaccharides.
M Jahn, D Stoll, R A J Warren, L Szabó, P Singh, H J Gilbert, V M-A Ducros, G J Davies and S G Withers, Chem Comm, 2003, 1327-1329.
A xylobiose-derived isofagomine lactam glycosidase inhibitor binds as its amide tautomer.
T Gloster, S J Williams, C A Tarling, S Roberts, C Dupont, P Jodoin, F Shareck, S G Withers and G J Davies, Chem Commun, 2003, 944-945.
Anatomy of glycosynthesis: Structure and kinetics of the Humicola insolens Cel7B E197A and E197S glycosynthase mutants.
V Ducros, C A Tarling, D L Zechel, A M Brzozowski, T P Frandsen, I v Ossowski, M Schülein, S G Withers and G J Davies, Chem Biol, 2003, 10, 619-628.
Mapping the conformational itinerary of β-glycosidases by X-ray crystallography.
G J Davies, V M-A Ducros, A Varrot and D L Zechel., Biochem Soc Trans, 2003, 31, 523-527.
An evolving heirarchical family classification for glycosyltransferases.
P Coutinho, E Deleury, G J Davies and B Henrissat, J Mol Biol, 2003, 328, 307-317.
Cellulosome assembly revealed by the crystal structure of the cohesin-dockerin complex: a template for nanosomal catalytic machines.
A L Carvalho, F M V Dias, J A M Prates, T Nagy, H J Gilbert, G J Davies, L M A Ferreira, M J Romão and C M G A Fontes, Proc Natl Acad Sci (USA), 2003, 100, 13809-13814.
Structural and thermodynamic dissection of specific mannan recognition by a carbohydrate-binding module, CBM27.
A B Boraston, T J Revett, C M Boraston, D Nurizzo and G J Davies, Structure, 2003, 11, 665-675.
Structure and Ligand Binding of Carbohydrate-Binding Module CsCBM6-3 Reveals Similarities with Fucose-Specific Lectins and "Galactose-Binding" Domains.
A B Boraston, V Notenboom, R A J Warren, D G Kilburn, D R Rose and G J Davies, J Mol Biol, 2003, 327, 659-669.

2002

Glycosidase Mechanisms.
A Vasella, G Davies and M Böhm, Curr Op Chem Biol, 2002, 6, 619-629.
Structure of the Humicola insolens cellobiohydrolase, Cel6A, D416A mutant in complex with a non-hydrolysable substrate analogue, methyl-cellobiosyl-4-deoxy-4-thio-b-cellobioside at 1.9 Å.
A Varrot, T Frandsen, H Driguez and G J Davies, Acta Crystallogr D: Biol Crystallogr, 2002, D58, 2201-2204.
Cellvibrio japonicus α-L-arabinanase 43A has a novel five-blade β-propeller fold.
D Nurizzo, J P Turkenburg, S J Charnock, S M Roberts, E J Dodson, V A McKie, E J Taylor, H J Gilbert and G J Davies, Nature Structural Biology, 2002, 9, 665-668.
The structural basis for catalysis and specificty of the Pseudomonas cellulosa a -glucuronidase, GlcA67A.
D Nurizzo, T Nagy, H J Gilbert and G J Davies, Structure, 2002, 10, 547-556.
Insights into trehalose synthesis provided by the structure of the retaining glucosyltransferase OtsA.
R P Gibson, J P Turkenburg, R M Lloyd, S J Charnock and G J Davies, Chem. Biol, 2002, 9, 1337-1346.
Characterisation of E. coli OtsA, a trehalose-6-phosphate synthase from glycosyltransferase family 20.
R P Gibson, R M Lloyd, S J Charnock and G J Davies, Acta Crystallogr D: Biol Crystallogr, 2002, 58, 349-351.
Substrate distortion by a β-mannanase: Snapshots of the Michaelis and covalent intermediate complexes suggest a B_2,5 conformation for the transition-state.
V Ducros, D L Zechel, G N Murshudov, H J Gilbert, L Szabo, D Stoll, S G Withers and G J Davies, Angewandte Chemie Int Ed, 2002, 41, 2824-2827.
Structural enzymology of carbohydrate-active enzymes: implications for plant glycogenomics.
G J Davies and B Henrissat, Biochemical Society Transactions, 2002, 30, 291-297.
Convergent evolution sheds light on the anti β-elimination mechanism common to family 1 and 10 polysaccharide lyases.
S J Charnock, I E Brown, J P Turkenburg, G W Black and G J Davies, Proc Natl Acad Sci (USA), 2002, 99, 12067-12072.
Promiscuity in ligand binding:The three-dimensional structure of a Piromyces carbohydrate-binding module, CBM29-2, in complex with cello- and mannohexaose.
S J Charnock, D N Bolam, D Nurizzo, L Szabo, V A McKie, H J Gilbert and G J Davies, Proc Natl Acad Sci (USA), 2002, 99, 14077-14082.
Differential oligosaccharide recognition by evolutionarily-related β-1,4 and β-1,3 glucan binding domains.
A B Boraston, D Nurizzo, V Notenboom, V Ducros, D R Rose, D G Kilburn and G J Davies, J. Mol. Biol, 2002, 319, 1143-1156.

2001

Clostridium thermocellum Xyn10B carbohydrate-binding module 22- 2: The role of conserved amino acids in ligand binding.
H F Xie, H J Gilbert, S J Charnock, G J Davies, M P Williamson, P J Simpson, S Raghothama, C Fontes, F M V Dias, L M A Ferreira and D N Bolam, Biochemistry, 2001, 40, 9167-9176.
Protein-carbohydrate interactions: learning lessons from nature.
S J Williams and G J Davies, Trends in Biotechnology, 2001, 19, 356-362.
Catalysis by hen egg-white lysozyme proceeds via a covalent intermediate.
D J Vocadlo, G J Davies, R Laine and S G Withers, Nature, 2001, 412, 835-838.
Atomic resolution structure of endoglucanase Cel5A in complex with methyl 4,4(II),4(III),4(IV) tetrathio-alpha-cellopentoside highlights the alternative binding modes targeted by substrate mimics.
A Varrot, M Schulein, S Fruchard, H Driguez and G J Davies, Acta Crystallogr D: Biol Crystallogr, 2001, 57, 1739-1742.
Cloning, purification and characterization of the 6-phospho-3- hexulose isomerase YckF from Bacillus subtilis.
E J Taylor, S J Charnock, J Colby, G J Davies and G W Black, Acta Crystallogr D: Biol Crystallogr, 2001, 57, 1138-1140.
Three-dimensional structures of the Mn and Mg dTDP complexes of the family GT-2 glycosyltransferase SpsA: a comparison with related NDP-sugar glycosyltransferases.
N Tarbouriech, S J Charnock and G J Davies, J. Mol. Biol, 2001, 314, 655-661.
Structure of a family 15 carbohydrate-binding module in complex with xylopentaose: Evidence that xylan binds in an approximate three-fold helical conformation.
L Szabo, S Jamal, H Xie, S J Charnock, D N Bolam, H J Gilbert and G J Davies, J. Biol. Chem, 2001, 276, 49061-49065.
Oligosaccharide binding to family 11 xylanases: both covalent intermediate and mutant product complexes display B-2,B-5 conformations at the active centre.
E Sabini, K S Wilson, S Danielsen, M Schulein and G J Davies, Acta Crystallogr D: Biol Crystallogr, 2001, 57, 1344-1347.
The structure of the feruloyl esterase module of xylanase 10B from Clostridium thermocellum provides insights into substrate recognition.
J A M Prates, N Tarbouriech, S J Charnock, C Fontes, L M A Ferreira and G J Davies, Structure, 2001, 9, 1183-1190.
A census of carbohydrate-active enzymes in the genome of Arabidopsis thaliana.
B Henrissat, P M Coutinho and G J Davies, Plant Molecular Biology, 2001, 47, 55-72.
Mixed-linkage cellooligosaccharides: A new class of glycoside hydrolase inhibitors.
S Fort, A Varrot, M Schulein, S Cottaz, H Driguez and G J Davies, Chembiochem, 2001, 2, 319-325.
Structure of the laccase from Coprinus cinereus at 1.68 angstrom resolution: evidence for different 'type 2 Cu-depleted ' isoforms.
V Ducros, A M Brzozowski, K S Wilson, P Ostergaard, P Schneider, A Svendson and G J Davies, Acta Crystallogr D: Biol Crystallogr, 2001, 57, 333-336.
The enzymatic synthesis of glycosidic bonds: "Glycosynthases" and glycosyltransferases.
G J Davies, S J Charnock and B Henrissat, Trends in Glycoscience and Glycotechnology, 2001, 13, 105-120.
Sweet secrets of synthesis.
G J Davies, Nature Structural Biology, 2001, 8, 98-100.
Three-dimensional structures of UDP-sugar glycosyltransferases illuminate the biosynthesis of plant polysaccharides.
S J Charnock, B Henrissat and G J Davies, Plant Physiology, 2001, 125, 527-531.
Characterization of a novel pectate lyase, Pel10A, from Pseudomonas cellulosa.
S J Charnock, I E Brown, J P Turkenburg, G W Black and G J Davies, Acta Crystallogr D: Biol Crystallogr, 2001, 57, 1141-1143.
Pectate lyase 10A from Pseudomonas cellulosa is a modular enzyme containing a family 2a carbohydrate-binding module.
I E Brown, M H Mallen, S J Charnock, G J Davies and G W Black, Biochemical Journal, 2001, 355, 155-165.

Department of Chemistry

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