8TOV

HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor

Summary for 8TOV

• Entry DOI: 10.2210/pdb8tov/pdb
• Descriptor: Matrix protein p17, 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide (3 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: 12
• Total formula weight: 315397.68

Authors

Goldstone, D.C.,Barnett, M.J.,Taka, J.R.H. (deposition date: 2023-08-04, release date: 2023-12-20, Last modification date: 2023-12-27)

• Primary citation: Xu, S.,Sun, L.,Barnett, M.,Zhang, X.,Ding, D.,Gattu, A.,Shi, D.,Taka, J.R.H.,Shen, W.,Jiang, X.,Cocklin, S.,De Clercq, E.,Pannecouque, C.,Goldstone, D.C.,Liu, X.,Dick, A.,Zhan, P.; Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.; J.Med.Chem., 66:16303-16329, 2023; PubMed: 38054267; DOI: 10.1021/acs.jmedchem.3c01647

Experimental method

X-RAY DIFFRACTION (2.7 Å)