Molecular modeling and dynamics simulation of human cyclin-dependent kinase 3 complexed with inhibitors.
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.
Perez
Patrícia Cardoso
PC
Faculdade de Biociências-Laboratório de Bioquímica Estrutural-PUCRS, Porto Alegre, RS, Brazil.
Caceres
Rafael A
RA
Canduri
Fernanda
F
de Azevedo
Walter Filgueira
WF
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
D047428:Protein Kinase Inhibitors; C098776:CDK3 protein, human; D056849:Cyclin-Dependent Kinase 3; D018844:Cyclin-Dependent Kinases