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TitleA comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants.
Journal, issue, pagesRetrovirology, Vol. 9, Page 99-99, Year 2012
Publish dateNov 22, 2012 (structure data deposition date)
AuthorsJohnson, B.C. / Pauly, G.T. / Rai, G. / Patel, D. / Bauman, J.D. / Baker, H.L. / Das, K. / Schneider, J.P. / Maloney, D.J. / Arnold, E. ...Johnson, B.C. / Pauly, G.T. / Rai, G. / Patel, D. / Bauman, J.D. / Baker, H.L. / Das, K. / Schneider, J.P. / Maloney, D.J. / Arnold, E. / Thomas, C.J. / Hughes, S.H.
External linksRetrovirology / PubMed:23217210
MethodsX-ray diffraction
Resolution2.2964 - 2.7004 Å
Structure data

PDB-4i2p:
Crystal structure of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) based analogue
Method: X-RAY DIFFRACTION / Resolution: 2.2964 Å

PDB-4i2q:
Crystal structure of K103N/Y181C mutant of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) analogue
Method: X-RAY DIFFRACTION / Resolution: 2.7004 Å

Chemicals

ChemComp-G73:
(2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile

ChemComp-HOH:
WATER

ChemComp-1BT:
(2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • human immunodeficiency virus type 1 bh10
KeywordsHYDROLASE / TRANSFERASE/INHIBITOR / P51/P66 / hetero dimer / NNRTI / nonnucleoside inhibitor / AIDS / HIV / DNA recombination / RNA-directed DNA polymerase / DNA polymerase / endonuclease / multifunctional enzyme / transferase / TRANSFERASE-INHIBITOR complex

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