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Structure paper

TitleStructural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Journal, issue, pagesNat Commun, Vol. 12, Issue 1, Page 4996, Year 2021
Publish dateAug 17, 2021
AuthorsMichal S Barski / Teresa Vanzo / Xue Zhi Zhao / Steven J Smith / Allison Ballandras-Colas / Nora B Cronin / Valerie E Pye / Stephen H Hughes / Terrence R Burke / Peter Cherepanov / Goedele N Maertens /
PubMed AbstractBetween 10 and 20 million people worldwide are infected with the human T-cell lymphotropic virus type 1 (HTLV-1). Despite causing life-threatening pathologies there is no therapeutic regimen for this ...Between 10 and 20 million people worldwide are infected with the human T-cell lymphotropic virus type 1 (HTLV-1). Despite causing life-threatening pathologies there is no therapeutic regimen for this deltaretrovirus. Here, we screened a library of integrase strand transfer inhibitor (INSTI) candidates built around several chemical scaffolds to determine their effectiveness in limiting HTLV-1 infection. Naphthyridines with substituents in position 6 emerged as the most potent compounds against HTLV-1, with XZ450 having highest efficacy in vitro. Using single-particle cryo-electron microscopy we visualised XZ450 as well as the clinical HIV-1 INSTIs raltegravir and bictegravir bound to the active site of the deltaretroviral intasome. The structures reveal subtle differences in the coordination environment of the Mg ion pair involved in the interaction with the INSTIs. Our results elucidate the binding of INSTIs to the HTLV-1 intasome and support their use for pre-exposure prophylaxis and possibly future treatment of HTLV-1 infection.
External linksNat Commun / PubMed:34404793 / PubMed Central
MethodsEM (single particle)
Resolution3.0 - 3.5 Å
Structure data

13075

7ouf

EMDB-13075, PDB-7ouf:
Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450
Method: EM (single particle) / Resolution: 3.0 Å

13076

7oug

EMDB-13076, PDB-7oug:
STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir
Method: EM (single particle) / Resolution: 3.1 Å

13077

7ouh

EMDB-13077, PDB-7ouh:
Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir
Method: EM (single particle) / Resolution: 3.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-1L0:
4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide

ChemComp-HOH:
WATER / Water

ChemComp-RLT:
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di / medication, antiretroviral*YM / Raltegravir

ChemComp-KLQ:
Bictegravir / inhibitor*YM / Bictegravir

Source
  • simian t-lymphotropic virus 1
  • homo sapiens (human)
KeywordsVIRAL PROTEIN / STLV-1 intasome / integrase strand-transfer inhibitor / HTLV / raltegravir / STLV-intasome / raltegravir. / integrase / intasome / STLV / integration / strand-transfer inhibitors / INSTI / bictegravir / BIC / drug

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