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Structure paper

TitleDiscovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 8154-8165, Year 2015
Publish dateMay 14, 2015 (structure data deposition date)
AuthorsRaheem, I.T. / Walji, A.M. / Klein, D. / Sanders, J.M. / Powell, D.A. / Abeywickrema, P. / Barbe, G. / Bennet, A. / Clas, S.D. / Dubost, D. ...Raheem, I.T. / Walji, A.M. / Klein, D. / Sanders, J.M. / Powell, D.A. / Abeywickrema, P. / Barbe, G. / Bennet, A. / Clas, S.D. / Dubost, D. / Embrey, M. / Grobler, J. / Hafey, M.J. / Hartingh, T.J. / Hazuda, D.J. / Miller, M.D. / Moore, K.P. / Pajkovic, N. / Patel, S. / Rada, V. / Rearden, P. / Schreier, J.D. / Sisko, J. / Steele, T.G. / Truchon, J.F. / Wai, J. / Xu, M. / Coleman, P.J.
External linksJ. Med. Chem. / PubMed:26397965
MethodsX-ray diffraction
Resolution2.67 - 2.7 Å
Structure data

PDB-4ztf:
Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-4ztj:
Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.67 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-X2P:
(1R,2R,5S)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione

ChemComp-MG:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-4RT:
(1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione

Source
  • human spumaretrovirus
KeywordsTransferase/DNA/Inhibitor / TRANSFERASE-DNA COMPLEX / DNA INTEGRATION / VIRAL PROTEIN / RECOMBINATION-INHIBITOR-DNA COMPLEX / Transferase-DNA-Inhibitor complex

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