7KE0

HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor STP03-0404

Summary for 7KE0

Entry DOI	10.2210/pdb7ke0/pdb
Descriptor	Integrase, (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 (3 entities in total)
Functional Keywords	integrase, inhibitor, hiv, transferase-inhibitor complex, transferase/inhibitor
Biological source	Human immunodeficiency virus 1 (HIV-1)
Total number of polymer chains	1
Total formula weight	18938.70
Authors	Lindenberger, J.J.,Kvaratskhelia, M. (deposition date: 2020-10-09, release date: 2021-09-22, Last modification date: 2023-10-18)
Primary citation	Maehigashi, T.,Ahn, S.,Kim, U.I.,Lindenberger, J.,Oo, A.,Koneru, P.C.,Mahboubi, B.,Engelman, A.N.,Kvaratskhelia, M.,Kim, K.,Kim, B. A highly potent and safe pyrrolopyridine-based allosteric HIV-1 integrase inhibitor targeting host LEDGF/p75-integrase interaction site. Plos Pathog., 17:e1009671-e1009671, 2021 Cited by PubMed: 34293041 DOI: 10.1371/journal.ppat.1009671 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.19 Å)

Structure validation