Ian R. Greig
University of Bath
14 Papers
118 Citations
Ian R. Greig is an academic researcher from University of Bath. The author has contributed to research in topics: Chemistry & Hydrogen bond. The author has an hindex of 11, co-authored 14 publications. Previous affiliations of Ian R. Greig include University of British Columbia & Simon Fraser University.
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Papers
Ten years of CAZypedia: a living encyclopedia of carbohydrate-active enzymes
Wade Abbott,Orly Alber,Ed Bayer,Jean-Guy Berrin,Alisdair B. Boraston,Harry Brumer,Ryszard Brzezinski,Anthony J. Clarke,Beatrice Cobucci-Ponzano,Darrell Cockburn,Pedro M. Coutinho,Mirjam Czjzek,Bareket Dassa,Gideon J. Davies,Vincent G. H. Eijsink,Jens M. Eklöf,Alfons K. G. Felice,Elizabeth Ficko-Blean,Geoff Pincher,Thierry Fontaine,Zui Fujimoto,Kiyotaka Fujita,Shinya Fushinobu,Harry J. Gilbert,Tracey M. Gloster,Ethan D. Goddard-Borger,Ian R. Greig,Jan-Hendrik Hehemann,Glyn R. Hemsworth,Bernard Henrissat,Masafumi Hidaka,Ramon Hurtado-Guerrero,Kiyohiko Igarashi,Takuya Ishida,Štefan Janeček,Seino A. K. Jongkees,Nathalie Juge,Satoshi Kaneko,Takane Katayama,Motomitsu Kitaoka,Naotake Konno,Daniel Kracher,Anna A. Kulminskaya,Alicia Lammerts van Bueren,Sine Larsen,Junho Lee,Markus Linder,Leila LoLeggio,Roland Ludwig,Ana R. Luís,Mirko M. Maksimainen,Brian L. Mark,Richard McLean,Gurvan Michel,Cedric Montanier,Marco Moracci,Haruhide Mori,Hiroyuki Nakai,Wim Nerinckx,Takayuki Ohnuma,Richard W. Pickersgill,Kathleen Piens,Tirso Pons,Etienne Rebuffet,Peter J. Reilly,Magali Remaud-Simeon,Brian P. Rempel,Kyle Robinson,David R. Rose,Juha Rouvinen,Wataru Saburi,Yuichi Sakamoto,Mats Sandgren,Fathima Aidha Shaikh,Yuval Shoham,Franz J. St John,Jerry Ståhlberg,Michael D. L. Suits,Gerlind Sulzenbacher,Gerlind Sulzenbacher,Tomomi Sumida,Ryuichiro Suzuki,Birte Svensson,Toki Taira,Edward J. Taylor,Takashi Tonozuka,Breeanna R. Urbanowicz,Gustav Vaaje-Kolstad,Wim Van den Ende,Annabelle Varrot,Maxime Versluys,Florence Vincent,Florence Vincent,David J. Vocadlo,Warren W. Wakarchuk,Tom Wennekes,Rohan J. Williams,Spencer J. Williams,David Wilson,Stephen G. Withers,Katsuro Yaoi,Vivian L. Y. Yip,Ran Zhang +102 more
TL;DR: CAZypedia was initiated in 2007 to create a comprehensive, living encyclopedia of the carbohydrate-active enzymes (CAZymes) and associated carbohydrate-binding modules involved in the synthesis, modification and degradation of complex carbohydrates.
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
Garrett E. Whitworth,Matthew S. Macauley,Keith A. Stubbs,Rebecca J. Dennis,Edward J. Taylor,Gideon J. Davies,Ian R. Greig,David J. Vocadlo +7 more
TL;DR: The potency of NAG-thiazoline, its transition state mimicry, and its lack of traditional transition state-like design features suggest that potent rationally designed glycosidase inhibitors can be developed that exploit variation in transition state poise.
Probing Synergy between Two Catalytic Strategies in the Glycoside Hydrolase O-GlcNAcase Using Multiple Linear Free Energy Relationships
TL;DR: These studies suggest the kinetic significance of an oxocarbenium ion intermediate in the O-GlcNAcase-catalyzed hydrolysis of glucosaminides, probing the limits of what may be learned using nonatomistic investigations of enzymic transition-state structure and offering general insights into how the superfamily of retaining glycoside hydrolases act as efficient catalysts.
Computational mutagenesis reveals the role of active-site tyrosine in stabilising a boat conformation for the substrate: QM/MM molecular dynamics studies of wild-type and mutant xylanases
Mahmoud E. S. Soliman,Mahmoud E. S. Soliman,Giuseppe D. Ruggiero,J. Javier Ruiz Pernía,Ian R. Greig,Ian H. Williams +5 more
TL;DR: Molecular dynamics simulations have been performed for non-covalent complexes of phenyl beta-xylobioside with the retaining endo-beta-1,4-xylanase from B. circulans and its Tyr69Phe mutant using a hybrid QM/MM methodology, confirming the key role of Tyr69 in stabilizing the boat in preference to the (4)C(1) chair conformation.
Elucidating the Nature of the Streptomyces plicatus β-Hexosaminidase-Bound Intermediate Using ab initio Molecular Dynamics Simulations
TL;DR: By using all-atom ab initio molecular dynamics simulations, the solution pK(a) of the oxazolinium ion intermediate formed during the Streptomyces plicatus beta-hexosaminidase (SpHex)-catalyzed hydrolysis of beta-D-N-acetylglucosaminides is estimated, suggesting that SpHex binds its intermediate in a distorted conformation with respect to its ground-state conformation in solution.
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