Click here to close Hello! We notice that you are using Internet Explorer, which is not supported by Echinobase and may cause the site to display incorrectly. We suggest using a current version of Chrome, FireFox, or Safari.
Echinobase
ECB-ART-39326
J Biomol Struct Dyn 2005 Apr 01;225:493-502. doi: 10.1080/07391102.2005.10531227.
Show Gene links Show Anatomy links

Homology model of the CDK1/cyclin B complex.

McGrath CF , Pattabiraman N , Kellogg GE , Lemcke T , Kunick C , Sausville EA , Zaharevitz DW , Gussio R .


???displayArticle.abstract???
We describe a refined homology model of a CDK1/cyclin B complex that was previously used for the structure-based optimization of the Paullone class of inhibitors. The preliminary model was formed from the homologous regions of the deposited CDK2/cyclin A crystal structure. Further refinement of the CDK1/cyclin B complex was accomplished using molecular mechanics and hydropathic analysis with a protocol of constraints and local geometry searches. For the most part, our CKD1/cyclin B homology model is very similar to the high resolution CDK2/cyclin A crystal structure regarding secondary and tertiary features. However, minor discrepancies between the two kinase structures suggest the possibility that ligand design may be specifically tuned for either CDK1 or CDK2. Our examination of the CDK1/cyclin B model includes a comparison with the CDK2/cyclin A crystal structure in the PSTAIRE interface region, connecting portions to the ATP binding domain, as well as the ATP binding site itself.

???displayArticle.pubmedLink??? 15702922
???displayArticle.link??? J Biomol Struct Dyn
???displayArticle.grants??? [+]

Genes referenced: cdk1 cdk2