8VRP

HIV-CA Disulfide linked Hexamer bound to 4-Quinazolinone Scaffold inhibitor

Summary for 8VRP

Entry DOI	10.2210/pdb8vrp/pdb
Descriptor	Spacer peptide 1, N-[(1S)-1-[(3P,7M)-3-{4-chloro-3-[(ethanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-7-(3-fluoro-4-formylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide, IODIDE ION, ... (4 entities in total)
Functional Keywords	hiv-1, human immunodeficiency virus, capsid, hiv-ca, capsid inhibitor, hiv restriction, viral protein
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	3
Total formula weight	79192.37
Authors	Goldstone, D.C.,Walsham, L. (deposition date: 2024-01-22, release date: 2025-07-23)
Primary citation	Zhang, X.,Walsham, L.,Zhan, P.,Goldstone, D.C. Discovery of 4-Quinazolinone-bearing Phenylalanine Derivatives as HIV-1 Capsid Inhibitors with Potent and Insensitivity Towards Clinically Relevant Resistant Mutations To Be Published,
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation