Geometry-dependent interfaces shape NLRP3 pyrin domain assembly.

doi:10.1016/j.ijbiomac.2026.153422

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Article

Geometry-dependent interfaces shape NLRP3 pyrin domain assembly.

International journal of biological macromolecules - 1 Sept 2026

Javid Mehri, Dömling Alexander, Nikkhah Maryam, Popowicz Grzegorz, Hashemabadi Mohammad, Shahverdi Ahmad Reza, Sepehrizadeh Zargham, Ebrahim-Habibi Azadeh, Hosseinkhani Saman

Abstract excerpt

NLRP3 inflammasome activation requires precise regulation of pyrin domain (PYD)-mediated protein-protein interactions to prevent spontaneous self-association while enabling rapid ASC adaptor recruitment. However, how local PYD interfaces encode the balance between restrained and assembly-competent states remains unclear. Here, we combine structural analysis, atomistic molecular dynamics simulations, targeted...

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CAPS gene
NLRP3 gene
Inflammasomes
Molecular Dynamics Simulation
Mutation
NLR Family, Pyrin Domain-Containing 3 Protein

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Protein Binding

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PMID: 42425344
DOI: 10.1016/j.ijbiomac.2026.153422

Genes

NLRP3
CAPS

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 31 Aug 2026.