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TitleThe resting and ligand-bound states of the membrane-embedded human T-cell receptor-CD3 complex.
Journal, issue, pagesNat Commun, Vol. 16, Issue 1, Page 10996, Year 2025
Publish dateDec 16, 2025
AuthorsRyan Q Notti / Fei Yi / Søren Heissel / Martin W Bush / Zaki Molvi / Pujita Das / Henrik Molina / Christopher A Klebanoff / Thomas Walz /
PubMed AbstractThe T-cell receptor (TCR) initiates T-lymphocyte activation, but the mechanism of TCR activation remains uncertain. Here, we present cryogenic electron microscopy structures for the unliganded and ...The T-cell receptor (TCR) initiates T-lymphocyte activation, but the mechanism of TCR activation remains uncertain. Here, we present cryogenic electron microscopy structures for the unliganded and human leukocyte antigen (HLA)-bound human TCR-CD3 complex in nanodiscs that provide a native-like lipid environment. Distinct from the open and extended conformation seen in detergent, the unliganded TCR-CD3 in nanodiscs adopts two related closed and compacted conformations that represent its physiologic resting state in vivo. By contrast, the HLA-bound complex adopts the open and extended conformation, and conformation-locking disulfide mutants show that ectodomain opening is necessary for maximal ligand-dependent T-cell activation. These structures also reveal conformation-dependent protein-lipid and glycan-glycan interactions within the TCR. Together, these results establish allosteric conformational change during TCR activation, reveal avenues for immunotherapeutic engineering, and highlight the importance of native-like lipid environments for membrane protein structure determination.
External linksNat Commun / PubMed:41402338 / PubMed Central
MethodsEM (single particle)
Resolution3.3 - 3.5 Å
Structure data

44417

9bbc

EMDB-44417, PDB-9bbc:
TCR GDN detergent micelle
Method: EM (single particle) / Resolution: 3.3 Å

45166

9c3e

EMDB-45166, PDB-9c3e:
TCR - CD3 complex bound to HLA
Method: EM (single particle) / Resolution: 3.5 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-CLR:
CHOLESTEROL

Source
  • homo sapiens (human)
KeywordsIMMUNE SYSTEM / T-cell receptor / TCR / 1G4 / nanodisc / CD3 / HLA / NY-ESO-1

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