7WCE

Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid

Summary for 7WCE

Entry DOI	10.2210/pdb7wce/pdb
Descriptor	Integrase catalytic, SULFATE ION, (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, ... (5 entities in total)
Functional Keywords	hiv-1 integrase, viral protein, hydrolase
Biological source	Human immunodeficiency virus type 1 (NEW YORK-5 ISOLATE)
Total number of polymer chains	1
Total formula weight	19260.57
Authors	Taoda, Y.,Sekiguchi, Y. (deposition date: 2021-12-20, release date: 2022-09-07, Last modification date: 2023-11-29)
Primary citation	Taoda, Y.,Akiyama, T.,Tomita, K.,Fujiwara-Kitamura, M.,Tamura, Y.,Kawasuji, T.,Matsuoka, E.,Akihisa, E.,Seki, T.,Yoshinaga, T. Discovery of tricyclic HIV-1 integrase-LEDGF/p75 allosteric inhibitors by intramolecular direct arylation reaction. Bioorg.Med.Chem.Lett., 64:128664-128664, 2022 Cited by PubMed: 35272008 DOI: 10.1016/j.bmcl.2022.128664 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation