Charles W.E. Tomlinson

Structural basis for covalent inhibition of sulfatases by sulfamate warheads

This paper investigates why aryl sulfatases are inhibited by sulfamate warheads while carbohydrate sulfatases are not, using structural and computational analyses.

Crystallographic fragment screening and deep mutational scanning of Zika virus NS2B-NS3 protease enable development of resistance-resilient inhibitors

The paper identifies fragment binders and mutationally intolerant sites in Zika virus NS2B-NS3 protease to develop resistance-resilient antiviral inhibitors.

Crystal structure of Fatty Acid Thioesterase A bound by 129 fragments provides diverse development opportunities

The paper solves the crystal structure of Arabidopsis thaliana FatA and identifies fragments that target novel regions, enabling the design of new herbicides with improved potency and novel interaction modes.

The role of Akkermansia muciniphila sulfatases in colonic mucinutilisation

This study investigates the role of Akkermansia muciniphila sulfatases in colonic mucin utilization, revealing unique adaptations compared to Bacteroides species.

Arylsulfamates inhibit colonic Bacteroidota growth through a sulfatase-independent mechanism

The paper shows arylsulfamates inhibit Bacteroides growth on sulfated glycans via a lipid kinase, not carbohydrate sulfatases, and identifies resistance mechanisms.

Identifying novel chemical matter against the Chikungunya virus nsP3 macrodomain through crystallographic fragment screening

The paper identifies chemical fragments targeting the Chikungunya virus nsP3 macrodomain through crystallographic screening, revealing novel binding sites and potential inhibitors.

Discovery of potent SARS-CoV-2 nsp3 macrodomain inhibitors uncovers lack of translation to cellular antiviral response

The paper identifies potent nsp3-mac1 inhibitors but finds they do not translate to antiviral activity in cell culture models.

Crystallographic fragment screen of Enterovirus D68 3C protease and iterative design of lead-like compounds using structure-guided expansions

This study identifies fragments binding to EV-D68 3C protease through crystallography and expands them into lead-like compounds, revealing novel binding modes and structural insights for drug design.

Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals

The paper identifies 75 fragments that bind to Coxsackievirus A16 2A protease, including 38 unique compounds in the active site, offering a path for broad-spectrum anti-enteroviral inhibitors.

High-throughput crystallographic fragment screening of Zika virus NS3 Helicase

This study uses high-throughput crystallographic fragment screening to identify 46 fragment binding poses on ZIKV NS3Hel, providing templates for antiviral drug design.