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.
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Auteurs principaux: | 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 |
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Format: | article |
Langue: | EN |
Publié: |
Nature Portfolio
2019
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Sujets: | |
Accès en ligne: | https://doaj.org/article/a0e90ef319f249dd8f9b3fd6b23a0233 |
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