New publication

Congratulations to Galen and the E3 team whose paper “Mapping the accessible conformational landscape of an insect carboxylesterase using conformational ensemble analysis and kinetic crystallography” has been published in Structure.

Using automated multi-conformer modelling and ensemble refinement, we uncovered a dynamically coupled network important for catalysis in an organophosphate-degrading enzyme, and using kinetic crystallography, we could monitor the release of a covalently bound intermediate in “slow motion”. This work shows how crystallographic tools can be used to explore the conformational landscape of an enzyme at each step in a complex catalytic cycle.