title: Molecular modeling and dynamics simulation of human cyclin-dependent kinase 3 complexed with inhibitors.
abstract: The complex CDK3-cyclin is involved in the control of the progression of G0. While the mechanisms governing early and late G1 progression are well understood, very little is known about the G0-G1 transition. Human CDK3 is closely related to cyclin-dependent kinase 2 (CDK2). Since there is no crystallographic structure of human CDK3, this work describes for the first time a molecular model of human CDK3 complexed with several inhibitors. Comparison of the binary complexes with different inhibitors strongly indicates that those inhibitors should inhibit CDK3 as well as CDK2.
authors.affiliation: Faculdade de Biociências-Laboratório de Bioquímica Estrutural-PUCRS, Porto Alegre, RS, Brazil.
authors.forename: Patrícia Cardoso
authors.initials: PC
authors.lastname: Perez
authors.forename: Rafael A
authors.initials: RA
authors.lastname: Caceres
authors.forename: Fernanda
authors.initials: F
authors.lastname: Canduri
authors.forename: Walter Filgueira
authors.initials: WF
authors.lastname: de Azevedo
mesh_terms: D000595:Amino Acid Sequence; D056849:Cyclin-Dependent Kinase 3; D018844:Cyclin-Dependent Kinases / Q000037:antagonists & inhibitors / Q000737:chemistry*; D006801:Humans; D008958:Models, Molecular; D008969:Molecular Sequence Data; D047428:Protein Kinase Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D017386:Sequence Homology, Amino Acid
chemical_list: D047428:Protein Kinase Inhibitors; C098776:CDK3 protein, human; D056849:Cyclin-Dependent Kinase 3; D018844:Cyclin-Dependent Kinases