VSE knjižnice (vzajemna bibliografsko-kataložna baza podatkov COBIB.SI)
  • Identification of Two Distinct Sites for Antagonist and Biased Agonist Binding to the Human Chemokine Receptor CXCR3
    Milanos, Lampros ...
    ThechemokinereceptorCXCR3is aGprotein-coupledreceptorthat conveysextracellularsignalsinto cellsbychangingits conformationuponligandbinding.Wepreviouslyhypothesizedthat ... small-moleculeallostericCXCR3-agonistsdo not bindto the sameallostericbindingpocket as 8-azaquinazolinone-basednegativeallostericmodulators.Wehavenowperformedmolecular-dynamics(MD)simulationswithmetadynamicsenhancedsamplingon the CXCR3systemto refinestructuresandbindingmodesandto predicttheCXCR3-bindingaffinitiesof the biasedallostericagonistFAUC1036andthe negativeallostericmodulatorRAMX3.We haveidentifiedtwo distinctbindingsites;a“shallow”andasecond“deeper”pocket to whichthe biasedallostericagonistFAUC1036and negativeallostericmodulatorRAMX3bind,respectively.
    Vir: Angewandte Chemie. - ISSN 0044-8249 (Vol. 128, iss. 49, 9. Nov. 2016, str. 15503-15507)
    Vrsta gradiva - članek, sestavni del ; neleposlovje za odrasle
    Leto - 2016
    Jezik - angleški
    COBISS.SI-ID - 120809987

vir: Angewandte Chemie. - ISSN 0044-8249 (Vol. 128, iss. 49, 9. Nov. 2016, str. 15503-15507)
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