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Structure paper

TitleStructural basis for strand-transfer inhibitor binding to HIV intasomes.
Journal, issue, pagesScience, Vol. 367, Issue 6479, Page 810-814, Year 2020
Publish dateFeb 14, 2020
AuthorsDario Oliveira Passos / Min Li / Ilona K Jóźwik / Xue Zhi Zhao / Diogo Santos-Martins / Renbin Yang / Steven J Smith / Youngmin Jeon / Stefano Forli / Stephen H Hughes / Terrence R Burke / Robert Craigie / Dmitry Lyumkis /
PubMed AbstractThe HIV intasome is a large nucleoprotein assembly that mediates the integration of a DNA copy of the viral genome into host chromatin. Intasomes are targeted by the latest generation of ...The HIV intasome is a large nucleoprotein assembly that mediates the integration of a DNA copy of the viral genome into host chromatin. Intasomes are targeted by the latest generation of antiretroviral drugs, integrase strand-transfer inhibitors (INSTIs). Challenges associated with lentiviral intasome biochemistry have hindered high-resolution structural studies of how INSTIs bind to their native drug target. Here, we present high-resolution cryo-electron microscopy structures of HIV intasomes bound to the latest generation of INSTIs. These structures highlight how small changes in the integrase active site can have notable implications for drug binding and design and provide mechanistic insights into why a leading INSTI retains efficacy against a broad spectrum of drug-resistant variants. The data have implications for expanding effective treatments available for HIV-infected individuals.
External linksScience / PubMed:32001521 / PubMed Central
MethodsEM (single particle)
Resolution2.8 - 3.4 Å
Structure data

20481

6put

EMDB-20481, PDB-6put:
Structure of HIV cleaved synaptic complex (CSC) intasome bound with calcium
Method: EM (single particle) / Resolution: 2.9 Å

20483

6puw

EMDB-20483, PDB-6puw:
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and Bictegravir (BIC)
Method: EM (single particle) / Resolution: 2.9 Å

20484

6puy

EMDB-20484, PDB-6puy:
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ426 (compound 4d)
Method: EM (single particle) / Resolution: 2.8 Å

20485

6puz

EMDB-20485, PDB-6puz:
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ446 (compound 4f)
Method: EM (single particle) / Resolution: 2.8 Å

21038

6v3k

EMDB-21038, PDB-6v3k:
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ419 (compound 4c)
Method: EM (single particle) / Resolution: 3.4 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER / Water

ChemComp-MG:
Unknown entry

ChemComp-KLQ:
Bictegravir / inhibitor*YM / Bictegravir

ChemComp-OZ1:
4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide

ChemComp-XXJ:
4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide

ChemComp-QUW:
4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide

Source
  • human immunodeficiency virus 1
  • hiv (virus)
  • saccharolobus solfataricus (strain atcc 35092 / dsm 1617 / jcm 11322 / p2) (archaea)
KeywordsVIRAL PROTEIN/DNA / integrase / intasome / enzyme / transposition / VIRAL PROTEIN / VIRAL PROTEIN-DNA complex

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