Integrative x-ray structure and molecular modeling for the rationalization of procaspase-8 inhibitor potency and selectivity
J. H. Xu, J. Eberhardt, B. Hill-Payne, G. E. Gonzalez-Paez, J. O. Castellon, B. F. Cravatt, S. Forli, D. W. Wolan, K. M. Backus
The paper uses X-ray crystallography and molecular modeling to study how a small-molecule inhibitor binds to and inhibits procaspase-8, revealing structural changes and key interactions.
bioRxiv · Aug 5, 2019Biochemistry