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: 30783506DOI: 10.1021/acsmedchemlett.8b00633 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.493 Å) |
Structure validation
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