9Z03

Cryo-EM structure of VVD-908 NLRP3 complex

This is a non-PDB format compatible entry.

Summary for 9Z03

• Entry DOI: 10.2210/pdb9z03/pdb
• EMDB information: 73688
• Descriptor: NACHT, LRR and PYD domains-containing protein 3, ADENOSINE-5'-DIPHOSPHATE, (4S,5S)-1-[(2E)-but-2-enoyl]-7-(3-chloro-5-fluorophenyl)-4-phenyl-1,7-diazaspiro[4.4]nonan-6-one, ... (4 entities in total)
• Functional Keywords: inflammasome, nlrp3, allosteric, immune system
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 103554.90

Authors

Bernard, S.M. (deposition date: 2025-10-30, release date: 2026-08-19)

Primary citation

Rogness, D.C.,Sievert, E.P.,Vartabedian, V.F.,Bernard, S.M.,Aitchison, E.,Tao, W.,Lindvall, M.,Qian, J.,Eissler, C.L.,Nordin, B.E.,Horning, B.D.,Kingston, C.,Lamb, K.N.,Bell, J.C.,Lu, B.,Pollock, J.,Shi, J.,Khattri, R.,Weinstein, D.S.,Patricelli, M.P.,Cook, B.N.,Simon, G.M.
Chemoproteomic discovery of a brain-penetrant, covalent NLRP3 inhibitor that binds a novel allosteric pocket.
Br.J.Pharmacol., 2026

PubMed Abstract: The NLRP3 inflammasome is an attractive therapeutic target for multiple inflammatory conditions. Although inhibitors have been developed, their chemical diversity is limited, and their properties are not ideal for brain penetrance, which is desirable for treating neuroinflammatory disorders.

PubMed: 42569816
DOI: 10.1111/bph.70626

Experimental method

ELECTRON MICROSCOPY (3.03 Å)