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TitleCryo-EM Structure of the Human Cannabinoid Receptor CB2-G Signaling Complex.
Journal, issue, pagesCell, Vol. 180, Issue 4, Page 645-654.e13, Year 2020
Publish dateFeb 20, 2020
AuthorsChangrui Xing / Youwen Zhuang / Ting-Hai Xu / Zhiwei Feng / X Edward Zhou / Maozi Chen / Lei Wang / Xing Meng / Ying Xue / Junmei Wang / Heng Liu / Terence Francis McGuire / Gongpu Zhao / Karsten Melcher / Cheng Zhang / H Eric Xu / Xiang-Qun Xie /
PubMed AbstractDrugs selectively targeting CB2 hold promise for treating neurodegenerative disorders, inflammation, and pain while avoiding psychotropic side effects mediated by CB1. The mechanisms underlying CB2 ...Drugs selectively targeting CB2 hold promise for treating neurodegenerative disorders, inflammation, and pain while avoiding psychotropic side effects mediated by CB1. The mechanisms underlying CB2 activation and signaling are poorly understood but critical for drug design. Here we report the cryo-EM structure of the human CB2-G signaling complex bound to the agonist WIN 55,212-2. The 3D structure reveals the binding mode of WIN 55,212-2 and structural determinants for distinguishing CB2 agonists from antagonists, which are supported by a pair of rationally designed agonist and antagonist. Further structural analyses with computational docking results uncover the differences between CB2 and CB1 in receptor activation, ligand recognition, and G coupling. These findings are expected to facilitate rational structure-based discovery of drugs targeting the cannabinoid system.
External linksCell / PubMed:32004460 / PubMed Central
MethodsEM (single particle)
Resolution3.2 Å
Structure data

20470

6pt0

EMDB-20470, PDB-6pt0:
Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2
Method: EM (single particle) / Resolution: 3.2 Å

Chemicals

ChemComp-WI5:
{(3R)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone / agonist*YM / WIN 55,212-2

ChemComp-PLM:
PALMITIC ACID / Palmitic acid

ChemComp-CLR:
CHOLESTEROL / Cholesterol

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsMEMBRANE PROTEIN / GPCR complex / WIN55 / 212-2

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