8ETR

CryoEM Structure of NLRP3 NACHT domain in complex with G2394

Summary for 8ETR

• Entry DOI: 10.2210/pdb8etr/pdb
• EMDB information: 28596
• Descriptor: NACHT, LRR and PYD domains-containing protein 3, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ... (4 entities in total)
• Functional Keywords: nlrp3, nacht, inhibitor, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 64263.35

Authors

Murray, J.M.,Johnson, M.C. (deposition date: 2022-10-17, release date: 2022-11-02, Last modification date: 2022-11-23)

• Primary citation: McBride, C.,Trzoss, L.,Povero, D.,Lazic, M.,Ambrus-Aikelin, G.,Santini, A.,Pranadinata, R.,Bain, G.,Stansfield, R.,Stafford, J.A.,Veal, J.,Takahashi, R.,Ly, J.,Chen, S.,Liu, L.,Nespi, M.,Blake, R.,Katewa, A.,Kleinheinz, T.,Sujatha-Bhaskar, S.,Ramamoorthi, N.,Sims, J.,McKenzie, B.,Chen, M.,Ultsch, M.,Johnson, M.,Murray, J.,Ciferri, C.,Staben, S.T.,Townsend, M.J.,Stivala, C.E.; Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor.; J.Med.Chem., 65:14721-14739, 2022; PubMed: 36279149; DOI: 10.1021/acs.jmedchem.2c01250

Experimental method

ELECTRON MICROSCOPY (3.5 Å)