Molecular dynamics-guided discovery of an ago-allosteric modulator for GPR40/FFAR1

The long-chain fatty acid receptor FFAR1/GPR40 binds agonists in both an interhelical site between the extracellular segments of transmembrane helix (TM)-III and TM-IV and a lipid-exposed groove between the intracellular segments of these helices. Molecular dynamics simulations of FFAR1 with agonist...

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Bibliografiska uppgifter
I publikationen:Proc Natl Acad Sci U S A
Huvudupphovsmän: Lückmann, Michael, Trauelsen, Mette, Bentsen, Marie A., Nissen, Tinne A. D., Martins, Joao, Fallah, Zohreh, Nygaard, Mads M., Papaleo, Elena, Lindorff-Larsen, Kresten, Schwartz, Thue W., Frimurer, Thomas M.
Materialtyp: Artigo
Språk:Inglês
Publicerad: National Academy of Sciences 2019
Ämnen:
Biological Sciences
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC6452680/
https://ncbi.nlm.nih.gov/pubmed/30872479
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1811066116
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