IDEAS home Printed from https://ideas.repec.org/a/nat/nature/v503y2013i7475d10.1038_nature12595.html
   My bibliography  Save this article

Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs

Author

Listed:
  • Ron O. Dror

    (D. E. Shaw Research, 120 West 45th Street, 39th Floor, New York, New York 10036, USA)

  • Hillary F. Green

    (D. E. Shaw Research, 120 West 45th Street, 39th Floor, New York, New York 10036, USA)

  • Celine Valant

    (Drug Discovery Biology, Monash University, 399 Royal Parade, Parkville, 3052, Victoria, Australia)

  • David W. Borhani

    (D. E. Shaw Research, 120 West 45th Street, 39th Floor, New York, New York 10036, USA)

  • James R. Valcourt

    (D. E. Shaw Research, 120 West 45th Street, 39th Floor, New York, New York 10036, USA)

  • Albert C. Pan

    (D. E. Shaw Research, 120 West 45th Street, 39th Floor, New York, New York 10036, USA)

  • Daniel H. Arlow

    (D. E. Shaw Research, 120 West 45th Street, 39th Floor, New York, New York 10036, USA)

  • Meritxell Canals

    (Drug Discovery Biology, Monash University, 399 Royal Parade, Parkville, 3052, Victoria, Australia)

  • J. Robert Lane

    (Drug Discovery Biology, Monash University, 399 Royal Parade, Parkville, 3052, Victoria, Australia)

  • Raphaël Rahmani

    (Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences, Monash University, 399 Royal Parade, Parkville, 3052, Victoria, Australia)

  • Jonathan B. Baell

    (Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences, Monash University, 399 Royal Parade, Parkville, 3052, Victoria, Australia)

  • Patrick M. Sexton

    (Drug Discovery Biology, Monash University, 399 Royal Parade, Parkville, 3052, Victoria, Australia)

  • Arthur Christopoulos

    (Drug Discovery Biology, Monash University, 399 Royal Parade, Parkville, 3052, Victoria, Australia)

  • David E. Shaw

    (D. E. Shaw Research, 120 West 45th Street, 39th Floor, New York, New York 10036, USA
    Center for Computational Biology and Bioinformatics, Columbia University)

Abstract

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.

Suggested Citation

  • Ron O. Dror & Hillary F. Green & Celine Valant & David W. Borhani & James R. Valcourt & Albert C. Pan & Daniel H. Arlow & Meritxell Canals & J. Robert Lane & Raphaël Rahmani & Jonathan B. Baell & Patr, 2013. "Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs," Nature, Nature, vol. 503(7475), pages 295-299, November.
    • Handle: RePEc:nat:nature:v:503:y:2013:i:7475:d:10.1038_nature12595
    DOI: 10.1038/nature12595
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/nature12595
    File Function: Abstract
    Download Restriction: Access to the full text of the articles in this series is restricted.
    File URL: https://libkey.io/10.1038/nature12595?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. Jun Xu & Qinggong Wang & Harald Hübner & Yunfei Hu & Xiaogang Niu & Haoqing Wang & Shoji Maeda & Asuka Inoue & Yuyong Tao & Peter Gmeiner & Yang Du & Changwen Jin & Brian K. Kobilka, 2023. "Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor," Nature Communications, Nature, vol. 14(1), pages 1-16, December.

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:nature:v:503:y:2013:i:7475:d:10.1038_nature12595. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.