EMD-48526
Locally-refined Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1
EMD-48526
Single-particle3.23 Å
Deposition: 03/01/2025Map released: 12/02/2025
Last modified: 12/02/2025
Sample Organism:
Homo sapiens
Sample: Human Mu-Opioid Receptor
Fitted models: 9mqj
Deposition Authors: Kim JY
,
Vigneron SF ,
Billesbolle C,
Manglik A ,
Shoichet BK
Sample: Human Mu-Opioid Receptor
Fitted models: 9mqj
Deposition Authors: Kim JY
,
Vigneron SF ,
Billesbolle C,
Manglik A ,
Shoichet BK
Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Vigneron SF ,
Ohno S ,
Braz J,
Kim JY ,
Kweon OS ,
Webb C ,
Billesbolle C,
Bhardwaj K ,
Irwin J,
Manglik A ,
Basbaum AI ,
Ellman JA ,
Shoichet BK
(2025) bioRxiv
,
Ohno S ,
Braz J,
Kim JY ,
Kweon OS ,
Webb C ,
Billesbolle C,
Bhardwaj K ,
Irwin J,
Manglik A ,
Basbaum AI ,
Ellman JA ,
Shoichet BK
(2025) bioRxiv
Grant Support:
- Defense Advanced Research Projects Agency (DARPA): HR0011-19-2-0020 (United States)
- National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS): R35GM122481 (United States)
- National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS): R35GM122473 (United States)