Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs

Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs

Allosteric GPCR modulators can achieve exquisite subtype selectivity, but the underlying mechanism is unclear. Using molecular dynamics simulations, the authors here identify a previously undetected dynamic pocket in muscarinic GPCRs that is critical for subtype selectivity of allosteric modulators.

Bibliographic Details
Main Authors: Scott A. Hollingsworth, Brendan Kelly, Celine Valant, Jordan Arthur Michaelis, Olivia Mastromihalis, Geoff Thompson, A. J. Venkatakrishnan, Samuel Hertig, Peter J. Scammells, Patrick M. Sexton, Christian C. Felder, Arthur Christopoulos, Ron O. Dror
Format: Article
Language:English
Published: Nature Portfolio 2019-07-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-019-11062-7

Internet

https://doi.org/10.1038/s41467-019-11062-7

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