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Structure paper

TitleThe Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Journal, issue, pagesMbio, Vol. 14, Page e0356022-e0356022, Year 2023
Publish dateJun 1, 2022 (structure data deposition date)
AuthorsSinger, 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. ...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.
External linksMbio / PubMed:36744954
MethodsX-ray diffraction
Resolution1.8 - 2.06 Å
Structure data

PDB-8a1p:
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-8a1q:
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir)
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-GOL:
GLYCEROL

ChemComp-LF0:
(2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-WBV:
(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

Source
  • human immunodeficiency virus 1
KeywordsVIRAL PROTEIN / Integrase / HIV / ALLINI / BI-D / Allosteric Inhibitor / Inhibitor / Retrovirus / INLAI / NCINI / MINI / LEDGIN / STP0404 / pirmitegravir

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