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TitleMolecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation.
Journal, issue, pagesViruses, Vol. 13, Year 2021
Publish dateMar 31, 2021 (structure data deposition date)
AuthorsSun, Q. / Levy, R.M. / Kirby, K.A. / Wang, Z. / Sarafianos, S.G. / Deng, N.
External linksViruses / PubMed:34063519
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-7m9f:
Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-YTG:
N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide

ChemComp-IOD:
IODIDE ION

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsVIRAL PROTEIN / HIV-1 capsid protein / hexamer / CA-targeting antiviral

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