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9N0V

Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, KFA-027

This is a non-PDB format compatible entry.
Summary for 9N0V
Entry DOI10.2210/pdb9n0v/pdb
DescriptorCapsid protein p24, N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide (2 entities in total)
Functional Keywordshiv capsid hexamer, capsid inhibitor, long-acting inhibitor, viral protein
Biological sourceHuman immunodeficiency virus 1
Total number of polymer chains4
Total formula weight101273.13
Authors
Dinh, T.T.,Kvaratskhelia, M. (deposition date: 2025-01-24, release date: 2025-06-18)
Primary citationDinh, T.T.,Kvaratskhelia, M.
Delineating structural functionalities of Lenacapavir amenable to modifications for targeting emerging drug-resistant HIV-1 capsid variants
To Be Published,
Experimental method
X-RAY DIFFRACTION (2.98 Å)
Structure validation

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