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Comput Biol Med. 2009 Feb;39(2):130-40. doi: 10.1016/j.compbiomed.2008.11.004. Epub 2009 Jan 18.

Molecular modeling and dynamics simulation of human cyclin-dependent kinase 3 complexed with inhibitors.

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Faculdade de Biociências-Laboratório de Bioquímica Estrutural-PUCRS, Porto Alegre, RS, Brazil.


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.

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