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Structure paper

TitleStructural and mechanistic bases for a potent HIV-1 capsid inhibitor.
Journal, issue, pagesScience, Vol. 370, Issue 6514, Page 360-364, Year 2020
Publish dateOct 16, 2020
AuthorsStephanie M Bester / Guochao Wei / Haiyan Zhao / Daniel Adu-Ampratwum / Naseer Iqbal / Valentine V Courouble / Ashwanth C Francis / Arun S Annamalai / Parmit K Singh / Nikoloz Shkriabai / Peter Van Blerkom / James Morrison / Eric M Poeschla / Alan N Engelman / Gregory B Melikyan / Patrick R Griffin / James R Fuchs / Francisco J Asturias / Mamuka Kvaratskhelia /
PubMed AbstractThe potent HIV-1 capsid inhibitor GS-6207 is an investigational principal component of long-acting antiretroviral therapy. We found that GS-6207 inhibits HIV-1 by stabilizing and thereby preventing ...The potent HIV-1 capsid inhibitor GS-6207 is an investigational principal component of long-acting antiretroviral therapy. We found that GS-6207 inhibits HIV-1 by stabilizing and thereby preventing functional disassembly of the capsid shell in infected cells. X-ray crystallography, cryo-electron microscopy, and hydrogen-deuterium exchange experiments revealed that GS-6207 tightly binds two adjoining capsid subunits and promotes distal intra- and inter-hexamer interactions that stabilize the curved capsid lattice. In addition, GS-6207 interferes with capsid binding to the cellular HIV-1 cofactors Nup153 and CPSF6 that mediate viral nuclear import and direct integration into gene-rich regions of chromatin. These findings elucidate structural insights into the multimodal, potent antiviral activity of GS-6207 and provide a means for rationally developing second-generation therapies.
External linksScience / PubMed:33060363 / PubMed Central
MethodsEM (helical sym.) / X-ray diffraction
Resolution2.22 - 6.3 Å
Structure data

21423

6vws

EMDB-21423, PDB-6vws:
Hexamer of Helical HIV capsid by RASTR method
Method: EM (helical sym.) / Resolution: 6.08 Å

EMDB-21424:
Helical reconstruction of HIV capsid protein
Method: EM (helical sym.) / Resolution: 6.3 Å

PDB-6vkv:
Co-crystal structure of GS-6207 bound to HIV-1 capsid hexamer
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

Chemicals

ChemComp-QNG:
N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-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 / medication, antiretroviral*YM / Lenacapavir

ChemComp-IOD:
IODIDE ION / Iodide

ChemComp-CL:
Unknown entry / Chloride

ChemComp-HOH:
WATER / Water

Source
  • human immunodeficiency virus 1
KeywordsVIRAL PROTEIN / Helical reconstruction / GS-6207 Hexamer HIV / RASTR

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