Structural insights into positive and negative allosteric regulation of a G protein-coupled receptor through protein-lipid interactions - Search Results

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Structural insights into positive and negative allosteric regulation of a G protein-coupled receptor through protein-lipid interactions / Bruzzese, Agustín (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Gil, Carles (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Dalton, James A. R.. (Universitat Autònoma de Barcelona. Institut de Neurociències) ; Giraldo, Jesús (Universitat Autònoma de Barcelona. Institut de Neurociències)
Lipids are becoming known as essential allosteric modulators of G protein-coupled receptor (GPCRs). However, how they exert their efects on GPCR conformation at the atomic level is still unclear. In light of recent experimental data, we have performed several long-timescale molecular dynamics (MD) simulations, totalling 24 μs, to rigorously map allosteric modulation and conformational changes in the β2 adrenergic receptor (β2AR) that occur as a result of interactions with three diferent phospholipids. [...]
2018 - DOI (Digital Object Identifier)

10.1038/s41598-018-22735-6
Scientific reports, Vol. 8 (2018) , art. 4456

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