Structure- and ligand-based virtual screening identifies new scaffolds for inhibitors of the oncoprotein MDM2.

by Douglas R Houston, Li-Hsuan Yen, Simon Pettit, Malcolm D Walkinshaw
Published 2015-01-01

Structures of pyruvate kinases display evolutionarily divergent allosteric strategies

by Hugh P. Morgan, Wenhe Zhong, Iain W. McNae, Paul A. M. Michels, Linda A. Fothergill-Gilmore, Malcolm D. Walkinshaw
Published 2014-01-01

UFSRAT: Ultra-fast Shape Recognition with Atom Types--the discovery of novel bioactive small molecular scaffolds for FKBP12 and 11βHSD1.

by Steven Shave, Elizabeth A Blackburn, Jillian Adie, Douglas R Houston, Manfred Auer, Scott P Webster, Paul Taylor, Malcolm D Walkinshaw
Published 2015-01-01

High throughput screens yield small molecule inhibitors of Leishmania CRK3:CYC6 cyclin-dependent kinase.

by Roderick G Walker, Graeme Thomson, Kirk Malone, Matthew W Nowicki, Elaine Brown, David G Blake, Nicholas J Turner, Malcolm D Walkinshaw, Karen M Grant, Jeremy C Mottram
Published 2011-04-01

MeCP2 recognizes cytosine methylated tri-nucleotide and di-nucleotide sequences to tune transcription in the mammalian brain.

by Sabine Lagger, John C Connelly, Gabriele Schweikert, Shaun Webb, Jim Selfridge, Bernard H Ramsahoye, Miao Yu, Chuan He, Guido Sanguinetti, Lawrence C Sowers, Malcolm D Walkinshaw, Adrian Bird
Published 2017-05-01

Allosteric pyruvate kinase-based “logic gate” synergistically senses energy and sugar levels in Mycobacterium tuberculosis

by Wenhe Zhong, Liang Cui, Boon Chong Goh, Qixu Cai, Peiying Ho, Yok Hian Chionh, Meng Yuan, Abbas El Sahili, Linda A. Fothergill-Gilmore, Malcolm D. Walkinshaw, Julien Lescar, Peter C. Dedon
Published 2017-12-01

Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice

by Iain W. McNae, James Kinkead, Divya Malik, Li-Hsuan Yen, Martin K. Walker, Chris Swain, Scott P. Webster, Nick Gray, Peter M. Fernandes, Elmarie Myburgh, Elizabeth A. Blackburn, Ryan Ritchie, Carol Austin, Martin A. Wear, Adrian J. Highton, Andrew J. Keats, Antonio Vong, Jacqueline Dornan, Jeremy C. Mottram, Paul A. M. Michels, Simon Pettit, Malcolm D. Walkinshaw
Published 2021-02-01