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Structure paper

TitleThe structural diversity of psychedelic drug actions revealed.
Journal, issue, pagesNat Commun, Vol. 16, Issue 1, Page 2734, Year 2025
Publish dateMar 19, 2025
AuthorsRyan H Gumpper / Manish K Jain / Kuglae Kim / Renhong Sun / Ning Sun / Zhongli Xu / Jeffrey F DiBerto / Brian E Krumm / Nicholas J Kapolka / H Ümit Kaniskan / David E Nichols / Jian Jin / Jonathan F Fay / Bryan L Roth /
PubMed AbstractThere is currently a resurgence in exploring the utility of classical psychedelics to treat depression, addiction, anxiety disorders, cluster headaches, and many other neuropsychiatric disorders. A ...There is currently a resurgence in exploring the utility of classical psychedelics to treat depression, addiction, anxiety disorders, cluster headaches, and many other neuropsychiatric disorders. A biological target of these compounds, and a hypothesized target for their therapeutic actions, is the 5-HT serotonin receptor. Here, we present 7 cryo-EM structures covering all major compound classes of psychedelic and non-psychedelic agonists, including a β-arrestin-biased compound RS130-180. Identifying the molecular interactions between various psychedelics and the 5-HT receptor reveals both common and distinct motifs among the examined psychedelic chemotypes. These findings lead to a broader mechanistic understanding of 5-HT activation, which can catalyze the development of novel chemotypes with potential therapeutic utility and fewer side effects.
External linksNat Commun / PubMed:40108183 / PubMed Central
MethodsEM (single particle)
Resolution2.54 - 3.47 Å
Structure data

43797

9arx

EMDB-43797, PDB-9arx:
Local refinement of 5-HT2AR bound to 5-HT in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.24 Å

43798

9ary

EMDB-43798, PDB-9ary:
Global reconstruction 5-HT2AR bound to 5-HT in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.27 Å

43799

9arz

EMDB-43799, PDB-9arz:
Local refinement of 5-HT2AR bound to 2-bromo-LSD in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.37 Å

43800

9as0

EMDB-43800, PDB-9as0:
Global reconstruction of 5-HT2AR bound to 2-bromo-LSD in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.38 Å

43801

9as1

EMDB-43801, PDB-9as1:
Local refinement of 5-HT2AR bound to DMT in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.38 Å

43802

9as2

EMDB-43802, PDB-9as2:
Global reconstruction of 5-HT2AR bound to DMT in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.21 Å

43803

9as3

EMDB-43803, PDB-9as3:
Local refinement of 5-HT2AR bound to LSD in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.18 Å

43804

9as4

EMDB-43804, PDB-9as4:
Global reconstruction of 5-HT2AR bound to LSD in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.06 Å

43805

9as5

EMDB-43805, PDB-9as5:
Local refinement of 5-HT2AR bound to Mescaline in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.34 Å

43806

9as6

EMDB-43806, PDB-9as6:
Global reconstruction of 5-HT2AR bound to mescaline in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.07 Å

43807

9as7

EMDB-43807, PDB-9as7:
Local refinement of 5-HT2AR bound to psilocin in complex with a mini-Gq and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 2.72 Å

43808

9as8

EMDB-43808, PDB-9as8:
Global reconstruction of 5-HT2AR bound to psilocin in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 2.54 Å

43809

9as9

EMDB-43809, PDB-9as9:
Local refinement of 5-HT2AR bound to RS130-180 in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.47 Å

43810

9asa

EMDB-43810, PDB-9asa:
Global reconstruction of 5-HT2AR bound to RS130-180 in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM)
Method: EM (single particle) / Resolution: 3.12 Å

Chemicals

ChemComp-SRO:
SEROTONIN / neurotransmitter*YM

PDB-1afu:
STRUCTURE OF RIBONUCLEASE A AT 2.0 ANGSTROMS FROM MONOCLINIC CRYSTALS

PDB-1afv:
HIV-1 CAPSID PROTEIN (P24) COMPLEX WITH FAB25.3

ChemComp-7LD:
(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide

PDB-1afw:
THE 1.8 ANGSTROM CRYSTAL STRUCTURE OF THE DIMERIC PEROXISOMAL THIOLASE OF SACCHAROMYCES CEREVISIAE

ChemComp-91Q:
3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol / alkaloid*YM

PDB-1afx:
UGAA EUKARYOTIC RIBOSOMAL RNA TETRALOOP, NMR, 13 STRUCTURES

Source
  • homo sapiens (human)
KeywordsMEMBRANE PROTEIN / GPCR / G-protein Coupled Receptor / 5-HT2AR / serotonin / psychedelics

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