Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors
Osipov EM., Munawar AH., Beelen S., Fearon D., Douangamath A., Wild C., Weeks SD., Van Aerschot A., von Delft F., Strelkov SV.
Crystallographic screening with drug-like fragments was performed on main capsid protein VP1 of BK polyomavirus. 144 binding fragments clustering to six pockets were established, opening up a perspective of designing capsid assembly inhibitors.