8A1Q

HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir)

Summary for 8A1Q

• Entry DOI: 10.2210/pdb8a1q/pdb
• Descriptor: Integrase, 1,2-ETHANEDIOL, (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, ... (5 entities in total)
• Functional Keywords: integrase, hiv, allini, stp0404, allosteric inhibitor, inhibitor, retrovirus, inlai, ncini, mini, ledgin, viral protein, pirmitegravir
• Biological source: Human immunodeficiency virus 1; More
• Total number of polymer chains: 4
• Total formula weight: 105587.80

Authors

Singer, M.R.,Pye, V.E.,Cook, N.J.,Cherepanov, P. (deposition date: 2022-06-01, release date: 2023-02-01, Last modification date: 2024-02-07)

• Primary citation: Singer, M.R.,Dinh, T.,Levintov, L.,Annamalai, A.S.,Rey, J.S.,Briganti, L.,Cook, N.J.,Pye, V.E.,Taylor, I.A.,Kim, K.,Engelman, A.N.,Kim, B.,Perilla, J.R.,Kvaratskhelia, M.,Cherepanov, P.; The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.; Mbio, 14:e0356022-e0356022, 2023; PubMed: 36744954; DOI: 10.1128/mbio.03560-22

Experimental method

X-RAY DIFFRACTION (2.06 Å)