000862342 001__ 862342 000862342 005__ 20240625095116.0 000862342 0247_ $$2doi$$a10.1016/j.sbi.2019.02.009 000862342 0247_ $$2ISSN$$a0959-440X 000862342 0247_ $$2ISSN$$a1879-033X 000862342 0247_ $$2Handle$$a2128/22310 000862342 0247_ $$2pmid$$apmid:30933747 000862342 0247_ $$2WOS$$aWOS:000482514400004 000862342 037__ $$aFZJ-2019-02680 000862342 082__ $$a570 000862342 1001_ $$0P:(DE-Juel1)169976$$aAlfonso-Prieto, Mercedes$$b0 000862342 245__ $$aMultiscale simulations on human Frizzled and Taste2 GPCRs 000862342 260__ $$aAmsterdam [u.a.]$$bElsevier$$c2019 000862342 3367_ $$2DRIVER$$aarticle 000862342 3367_ $$2DataCite$$aOutput Types/Journal article 000862342 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1560429721_25745 000862342 3367_ $$2BibTeX$$aARTICLE 000862342 3367_ $$2ORCID$$aJOURNAL_ARTICLE 000862342 3367_ $$00$$2EndNote$$aJournal Article 000862342 520__ $$aRecently, molecular dynamics simulations, from all atom and coarse grained to hybrid methods bridging the two scales, have provided exciting functional insights into class F (Frizzled and Taste2) GPCRs (about 40 members in humans). Findings include: (i) The activation of one member of the Frizzled receptors (FZD4) involves a bending of transmembrane helix TM7 far larger than that in class A GPCRs. (ii) The affinity of an anticancer drug targeting another member (Smoothened receptor) decreases in a specific drug-resistant variant, because the mutation ultimately disrupts the binding cavity and affects TM6. (iii) A novel two-state recognition mechanism explains the very large agonist diversity for at least one member of the Taste2 GPCRs, hTAS2R46. 000862342 536__ $$0G:(DE-HGF)POF3-574$$a574 - Theory, modelling and simulation (POF3-574)$$cPOF3-574$$fPOF III$$x0 000862342 588__ $$aDataset connected to CrossRef 000862342 7001_ $$0P:(DE-Juel1)165199$$aGiorgetti, Alejandro$$b1$$ufzj 000862342 7001_ $$0P:(DE-Juel1)145614$$aCarloni, Paolo$$b2$$eCorresponding author$$ufzj 000862342 773__ $$0PERI:(DE-600)2019233-2$$a10.1016/j.sbi.2019.02.009$$gVol. 55, p. 8 - 16$$p8-16$$tCurrent opinion in structural biology$$v55$$x0959-440X$$y2019 000862342 8564_ $$uhttps://juser.fz-juelich.de/record/862342/files/Manuscript_Frizzled-Taste2_Carloni_ZB-FZJ.pdf$$yOpenAccess 000862342 909CO $$ooai:juser.fz-juelich.de:862342$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire 000862342 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)169976$$aForschungszentrum Jülich$$b0$$kFZJ 000862342 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)165199$$aForschungszentrum Jülich$$b1$$kFZJ 000862342 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)145614$$aForschungszentrum Jülich$$b2$$kFZJ 000862342 9131_ $$0G:(DE-HGF)POF3-574$$1G:(DE-HGF)POF3-570$$2G:(DE-HGF)POF3-500$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bKey Technologies$$lDecoding the Human Brain$$vTheory, modelling and simulation$$x0 000862342 9141_ $$y2019 000862342 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS 000862342 915__ $$0StatID:(DE-HGF)1030$$2StatID$$aDBCoverage$$bCurrent Contents - Life Sciences 000862342 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search 000862342 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bCURR OPIN STRUC BIOL : 2017 000862342 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection 000862342 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index 000862342 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded 000862342 915__ $$0StatID:(DE-HGF)1120$$2StatID$$aDBCoverage$$bBIOSIS Reviews Reports And Meetings 000862342 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess 000862342 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC 000862342 915__ $$0StatID:(DE-HGF)9905$$2StatID$$aIF >= 5$$bCURR OPIN STRUC BIOL : 2017 000862342 915__ $$0StatID:(DE-HGF)0310$$2StatID$$aDBCoverage$$bNCBI Molecular Biology Database 000862342 915__ $$0StatID:(DE-HGF)1050$$2StatID$$aDBCoverage$$bBIOSIS Previews 000862342 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline 000862342 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz 000862342 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List 000862342 920__ $$lyes 000862342 9201_ $$0I:(DE-Juel1)IAS-5-20120330$$kIAS-5$$lComputational Biomedicine$$x0 000862342 9201_ $$0I:(DE-Juel1)INM-9-20140121$$kINM-9$$lComputational Biomedicine$$x1 000862342 980__ $$ajournal 000862342 980__ $$aVDB 000862342 980__ $$aUNRESTRICTED 000862342 980__ $$aI:(DE-Juel1)IAS-5-20120330 000862342 980__ $$aI:(DE-Juel1)INM-9-20140121 000862342 9801_ $$aFullTexts