Ontology highlight
ABSTRACT:
SUBMITTER: Lin FY
PROVIDER: S-EPMC3349777 | biostudies-literature | 2012 May
REPOSITORIES: biostudies-literature
Lin Fu-Yang FY Liu Yi-Liang YL Li Kai K Cao Rong R Zhu Wei W Axelson Jordan J Pang Ran R Oldfield Eric E
Journal of medicinal chemistry 20120501 9
We report X-ray crystallographic structures of three inhibitors bound to dehydrosqualene synthase from Staphylococcus aureus: 1 (BPH-651), 2 (WC-9), and 3 (SQ-109). Compound 2 binds to the S2 site with its -SCN group surrounded by four hydrogen bond donors. With 1, we report two structures: in both, the quinuclidine headgroup binds in the allylic (S1) site with the side chain in S2, but in the presence of PPi and Mg(2+), the quinuclidine's cationic center interacts with PPi and three Mg(2+), mim ...[more]