6EB2

HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid

Summary for 6EB2

Entry DOI	10.2210/pdb6eb2/pdb
Descriptor	Integrase, (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid (3 entities in total)
Functional Keywords	hiv, integrase, inhibitor, allosteric, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	1
Total formula weight	20880.43
Authors	Lindenberger, J.J.,Kobe, M.,Kvaratskhelia, M. (deposition date: 2018-08-03, release date: 2019-03-06, Last modification date: 2023-10-11)
Primary citation	Wilson, T.A.,Koneru, P.C.,Rebensburg, S.V.,Lindenberger, J.J.,Kobe, M.J.,Cockroft, N.T.,Adu-Ampratwum, D.,Larue, R.C.,Kvaratskhelia, M.,Fuchs, J.R. An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors. ACS Med Chem Lett, 10:215-220, 2019 Cited by PubMed: 30783506 DOI: 10.1021/acsmedchemlett.8b00633 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.493 Å)

Structure validation