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  • 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
http://linked.open...avai/riv/aktivity
  • P(GD204/03/H016), Z(MSM0021622413)
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 497894
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14310/06:00016379
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • phosphorylation cyclin dependent kinase 2 and 5 molecular dynamics (en)
http://linked.open.../riv/klicoveSlovo
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
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...iv/tvurceVysledku
  • Koča, Jaroslav
  • Otyepka, Michal
  • Kříž, Zdeněk
  • Bártová, Iveta
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
number of pages
http://purl.org/ne...btex#hasPublisher
  • EuCheMS
https://schema.org/isbn
  • 963-9319-61-9
http://localhost/t...ganizacniJednotka
  • 14310
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