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Structure paper

TitleHigh-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Journal, issue, pagesProc. Natl. Acad. Sci. Usa, Vol. 105, Page 1466-1471, Year 2008
Publish dateNov 16, 2007 (structure data deposition date)
AuthorsDas, K. / Bauman, J.D. / Clark Jr., A.D. / Frenkel, Y.V. / Lewi, P.J. / Shatkin, A.J. / Hughes, S.H. / Arnold, E.
External linksProc. Natl. Acad. Sci. Usa / PubMed:18230722
MethodsX-ray diffraction
Resolution1.8 - 2.9 Å
Structure data

PDB-2zd1:
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with TMC278 (Rilpivirine), A Non-nucleoside RT Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2ze2:
Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-3bgr:
Crystal structure of K103N/Y181C mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (Rilpivirine), a non-nucleoside RT inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-T27:
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile / medication, inhibitor*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsTRANSFERASE / HYDROLASE/INHIBITOR / P51/P66 / HETERO DIMER / NNRTI / NONNUCLEOSIDE INHIBITOR / AIDS / HIV / R278474 / RILPIVIRINE / DIARYLPYRIMIDINE / DAPY / DNA RECOMBINATION / RNA-DIRECTED DNA POLYMERASE / DNA POLYMERASE / ENDONUCLEASE / HYDROLASE / MULTIFUNCTIONAL ENZYME / HYDROLASE-INHIBITOR complex / K103N / Y181C

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