title: The search for the mechanism of the reaction catalyzed by farnesyltransferase.
abstract: Atomic-level portrait: The mechanism of the reaction catalyzed by the puzzling enzyme farnesyltransferase is elucidated by using computational methods, allowing the obtainment of the first real detailed atomistic quantum-chemical transition-state structure (see figure) for the reaction catalyzed by this enzyme. The results obtained provide an atomic-level framework for the design of more potent and specific inhibitors for this important enzyme.
authors.affiliation: REQUIMTE, Departamento de Química, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre, 687, 4160-007 Porto, Portugal.
authors.forename: Sérgio Filipe
authors.initials: SF
authors.lastname: Sousa
authors.forename: Pedro Alexandrino
authors.initials: PA
authors.lastname: Fernandes
authors.forename: Maria João
authors.initials: MJ
authors.lastname: Ramos
mesh_terms: D002384:Catalysis; D018360:Crystallography, X-Ray; D051231:Farnesyltranstransferase / Q000037:antagonists & inhibitors / Q000737:chemistry / Q000378:metabolism; D008956:Models, Chemical; D011487:Protein Conformation; D013816:Thermodynamics
chemical_list: D051231:Farnesyltranstransferase