About: THE ROLE OF PHOSPHORYLATION IN CYCLIN DEPENDENT KINASE 2 AND 5 ACTIVATION AND INHIBITION. A COMPUTER SIMULATION STUDY.

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We have used molecular dynamics to help understanding different mechanism of CDK2 and CDK5 activation and inhibition. The data were obtained from several simulations including fully active CDK2 in a complex with a short peptide substrate. and simulations on CDK5 in complexes with the protein activator p25 and the purine-like inhibitor roscovitine. Differences between the CDK5/p25 and CDK2/Cyclin A systems are discussed with respect to their specific functionality. We will show why the CDK2 inhibition segment becomes an activation segment for CDK5. We will also clarify why only one step is necessary to activate CDK5 (interaction with the regulatory subunit) while CDK2 needs a two-step activation (other phosphorylation in the activation loop). As a “side effect” information obtained from simulations, we will show how a detailed analysis of the interactions between the protein and the solvent could be used to design new inhibitors. We have used molecular dynamics to help understanding different mechanism of CDK2 and CDK5 activation and inhibition. The data were obtained from several simulations including fully active CDK2 in a complex with a short peptide substrate. and simulations on CDK5 in complexes with the protein activator p25 and the purine-like inhibitor roscovitine. Differences between the CDK5/p25 and CDK2/Cyclin A systems are discussed with respect to their specific functionality. We will show why the CDK2 inhibition segment becomes an activation segment for CDK5. We will also clarify why only one step is necessary to activate CDK5 (interaction with the regulatory subunit) while CDK2 needs a two-step activation (other phosphorylation in the activation loop). As a “side effect” information obtained from simulations, we will show how a detailed analysis of the interactions between the protein and the solvent could be used to design new inhibitors. (en)
Title	THE ROLE OF PHOSPHORYLATION IN CYCLIN DEPENDENT KINASE 2 AND 5 ACTIVATION AND INHIBITION. A COMPUTER SIMULATION STUDY. THE ROLE OF PHOSPHORYLATION IN CYCLIN DEPENDENT KINASE 2 AND 5 ACTIVATION AND INHIBITION. A COMPUTER SIMULATION STUDY. (en)
skos:prefLabel	THE ROLE OF PHOSPHORYLATION IN CYCLIN DEPENDENT KINASE 2 AND 5 ACTIVATION AND INHIBITION. A COMPUTER SIMULATION STUDY. THE ROLE OF PHOSPHORYLATION IN CYCLIN DEPENDENT KINASE 2 AND 5 ACTIVATION AND INHIBITION. A COMPUTER SIMULATION STUDY. (en)
skos:notation	RIV/00216224:14310/06:00016379!RIV10-MSM-14310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GD204/03/H016), Z(MSM0021622413)
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Bártová, Iveta Koča, Jaroslav Kříž, Zdeněk
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	497894
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/06:00016379
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	phosphorylation cyclin dependent kinase 2 and 5 molecular dynamics (en)
http://linked.open.../riv/klicoveSlovo	phosphorylation cyclin dependent kinase 2 and 5 molecular dynamics
http://linked.open...ontrolniKodProRIV	[F4706F805DD2]
http://linked.open...v/mistoKonaniAkce	Budapest, Hungary
http://linked.open...i/riv/mistoVydani	Budapest. Hungary
http://linked.open...i/riv/nazevZdroje	1st European Chemistry Congress
http://linked.open...in/vavai/riv/obor	CE
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Structural biophysics of macromolecules
http://linked.open...UplatneniVysledku	2006
http://linked.open...iv/tvurceVysledku	Koča, Jaroslav Otyepka, Michal Kříž, Zdeněk Bártová, Iveta
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2006-08-27 (xsd:date)
http://linked.open...n/vavai/riv/zamer	Proteiny v metabolismu a při interakci organismů s prostředím
number of pages	1 (xsd:int)
http://purl.org/ne...btex#hasPublisher	EuCheMS
https://schema.org/isbn	963-9319-61-9
http://localhost/t...ganizacniJednotka	14310
is http://linked.open...avai/riv/vysledek of	THE ROLE OF PHOSPHORYLATION IN CYCLIN DEPENDENT KINASE 2 AND 5 ACTIVATION AND INHIBITION. A COMPUTER SIMULATION STUDY. THE ROLE OF PHOSPHORYLATION IN CYCLIN DEPENDENT KINASE 2 AND 5 ACTIVATION AND INHIBITION. A COMPUTER SIMULATION STUDY.

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