EMD-28596

Single-particle
3.5 Å
EMD-28596
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Deposition: 17/10/2022
Map released: 02/11/2022
Last modified: 19/06/2024
Overview 3D View Sample Experiment Validation Volume Browser Additional data Links
Overview 3D View Sample Experiment Validation Volume Browser Additional data Links

EMD-28596
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3D volume (map.gz) Experimental metadata (xml) Experimental Metadata (cif.gz)
Map-only Validation report (pdf.gz) Map-only Validation report (cif.gz) Map-only Validation report (xml.gz)
Map and PDB model 8etr summary report (pdf.gz) Map and 8etr FULL report (pdf.gz)
EMICSS annotations (xml)

CryoEM Structure of NLRP3 NACHT domain in complex with G2394

EMD-28596

Single-particle
3.5 Å
EMD-28596
3D View Gallery
Deposition: 17/10/2022
Map released: 02/11/2022
Last modified: 19/06/2024
Overview 3D View Sample Experiment Validation Volume Browser Additional data Links
Sample Organism: Homo sapiens
Sample: NLRP3 NACHT domain
Fitted models: 8etr

Deposition Authors: Murray JM, Johnson MC
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.
McBride C, Trzoss L, Povero D, Lazic M, Ambrus-Aikelin G, Santini A, Pranadinata R, Bain G , Stansfield R, Stafford JA, 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 ST , Townsend MJ, Stivala CE
(2022) J Med Chem , 65 , 14721 - 14739
PUBMED: 36279149
DOI: doi:10.1021/acs.jmedchem.2c01250
ISSN: 0022-2623
ASTM: JMCMAR