Endothiapepsin in complex with an inhibitor based on the Gewald reaction

Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors.

Bartels Monochromator with dual channel cut crystals (DCCM) in (+--+) geometry

STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYG
DGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTAD
LGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVS
GAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA
TTPTLGFASK

0.1M NH4Ac, 0.1M Acetate-Buffer pH 4.6, 26% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 289K

HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex