8ZEM

Crystal Structure of NLRP3 NACHT domain in complex with NP3-1

This is a non-PDB format compatible entry.

Summary for 8ZEM

• Entry DOI: 10.2210/pdb8zem/pdb
• Descriptor: NACHT, LRR and PYD domains-containing protein 3, 1-[5-[2,3-bis(chloranyl)phenyl]-2,3-dihydro-1~{H}-inden-4-yl]-3-[4-(2-oxidanylpropan-2-yl)thiophen-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE (3 entities in total)
• Functional Keywords: nlrp3, inhibitor, np3-1, immune system
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 65196.05

Authors

Shi, C.,Liu, Z.M. (deposition date: 2024-05-06, release date: 2024-10-02)

• Primary citation: Shi, C.,Gao, T.,Lyu, W.,Qiang, B.,Chen, Y.,Chen, Q.,Zhang, L.,Liu, Z.; Deep-Learning-Driven Discovery of SN3-1, a Potent NLRP3 Inhibitor with Therapeutic Potential for Inflammatory Diseases.; J.Med.Chem., 2024; PubMed: 39302813; DOI: 10.1021/acs.jmedchem.4c01857

Experimental method

X-RAY DIFFRACTION (3.32 Å)