Molecular models of cyclin-dependent kinase 1 complexed with inhibitors

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dc.contributor.authorCanduri, F.
dc.contributor.authorUchoa, H. B.
dc.contributor.authorde Azevedo, W. F.
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionCtr Appl Toxicol
dc.date.accessioned2014-05-20T15:24:22Z
dc.date.available2014-05-20T15:24:22Z
dc.date.issued2004-11-12
dc.description.abstractRoscovitine and flavopiridol have been shown to potently inhibit cyclin-dependent kinase 1 and 2 (CDK1 and 2). The structures of CDK2 complexed with roscovitine and deschoroflavopiridol have been reported, however no crystallographic structure is available for complexes of CDK1 with inhibitors. The present work describes two molecular models for the binary complexes CDK1:roscovitine and CDK1:flavopiridol. These structural models indicate that both inhibitors strongly bind to the ATP-binding pocket of CDKI and structural comparison of the CDK complexes correlates the structures with differences in inhibition of these CDKs by flavopiridol and roscovitine. This article explains the structural basis for the observed differences in activity of these inhibitors. (C) 2004 Elsevier B.V. All rights reserved.en
dc.description.affiliationUNESP, Dept Fis, BR-15054000 Sao Jose do Rio Preto, SP, Brazil
dc.description.affiliationUNESP, Programa Posgrad Biofis Mol, BR-15054000 Sao Jose do Rio Preto, SP, Brazil
dc.description.affiliationCtr Appl Toxicol, Inst Butantan, BR-05503900 São Paulo, Brazil
dc.description.affiliationUnespUNESP, Dept Fis, BR-15054000 Sao Jose do Rio Preto, SP, Brazil
dc.description.affiliationUnespUNESP, Programa Posgrad Biofis Mol, BR-15054000 Sao Jose do Rio Preto, SP, Brazil
dc.format.extent661-666
dc.identifierhttp://dx.doi.org/10.1016/j.bbrc.2004.09.109
dc.identifier.citationBiochemical and Biophysical Research Communications. San Diego: Academic Press Inc. Elsevier B.V., v. 324, n. 2, p. 661-666, 2004.
dc.identifier.doi10.1016/j.bbrc.2004.09.109
dc.identifier.issn0006-291X
dc.identifier.urihttp://hdl.handle.net/11449/34987
dc.identifier.wosWOS:000224794000028
dc.language.isoeng
dc.publisherElsevier B.V.
dc.relation.ispartofBiochemical and Biophysical Research Communications
dc.relation.ispartofjcr2.559
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.subjectCDKpt
dc.subjectdrug designpt
dc.subjectFlavopiridolpt
dc.subjectRoscovitinept
dc.subjecthomology modelingpt
dc.titleMolecular models of cyclin-dependent kinase 1 complexed with inhibitorsen
dc.typeArtigo
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dcterms.rightsHolderElsevier B.V.
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Biociências Letras e Ciências Exatas, São José do Rio Pretopt

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