Advanced search

Filter By:

Journal Check one or more journals to show results from those journals only.

Choose more journals

Article type Check one or more article types to show results from those article types only.
Subject Check one or more subjects to show results from those subjects only.
Date Choose a date option to show results from those dates only.

Custom date range

Clear all filters
Sort by:
Showing 1–9 of 9 results
Advanced filters: Author: Celine Valant Clear advanced filters

  • The M5 muscarinic acetylcholine receptor represents a promising therapeutic target for neurological disorders. Here, the authors reveal a 2.1 Å cryo-EM structure of the M5 bound to a selective positive allosteric modulator site that enables structure-based drug design.

    • Wessel A. C. Burger
    • Jesse I. Mobbs
    • David M. Thal
    ResearchOpen Access
    Nature Communications
    Volume: 16, P: 1-15

  • The drug Xanomeline is progressing through clinical trials for the treatment of patients with schizophrenia. Here, the authors determine a cryo-EM structure of Xanomeline bound to its primary target revealing a dual binding mode mechanism.

    • Wessel A. C. Burger
    • Vi Pham
    • David M. Thal
    ResearchOpen Access
    Nature Communications
    Volume: 14, P: 1-11

  • The use of atomic-level simulations reveals a molecular mechanism by which a ligand can achieve selectivity between nearly identical receptors, enabling the rational design of targeted drugs.

    • Alexander S. Powers
    • Vi Pham
    • Ron O. Dror
    ResearchOpen Access
    Nature Chemical Biology
    Volume: 19, P: 805-814

  • 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.

    • Scott A. Hollingsworth
    • Brendan Kelly
    • Ron O. Dror
    ResearchOpen Access
    Nature Communications
    Volume: 10, P: 1-9

  • MIPS521, a positive allosteric modulator of the adenosine A1 receptor, has analgesic properties in a rat model of neuropathic pain through a mechanism by which MIPS521 stabilizes the complex between adenosine, receptor and G protein.

    • Christopher J. Draper-Joyce
    • Rebecca Bhola
    • Arthur Christopoulos
    Research
    Nature
    Volume: 597, P: 571-576

  • Binding modes and molecular mechanisms of several allosteric modulators of a prototypical G-protein-coupled receptor are revealed using atomic-level simulations and validated by the rational design of a modulator with substantially altered effects.

    • Ron O. Dror
    • Hillary F. Green
    • David E. Shaw
    Research
    Nature
    Volume: 503, P: 295-299

  • Very little is known about how a G-protein-coupled receptor (GPCR) transitions from an inactive to an active state, but this study has solved the X-ray crystal structures of the human M2 muscarinic acetylcholine receptor bound to a high-affinity agonist in an active state and to a high-affinity agonist and a small-molecule allosteric modulator in an active state; the structures provide insights into the activation mechanism and allosteric modulation of muscarinic receptors.

    • Andrew C. Kruse
    • Aaron M. Ring
    • Brian K. Kobilka
    Research
    Nature
    Volume: 504, P: 101-106