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TitleDesign and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 7920-7933, Year 2011
Publish dateJul 21, 2011 (structure data deposition date)
AuthorsGomez, R. / Jolly, S.J. / Williams, T. / Vacca, J.P. / Torrent, M. / McGaughey, G. / Lai, M.T. / Felock, P. / Munshi, V. / Distefano, D. ...Gomez, R. / Jolly, S.J. / Williams, T. / Vacca, J.P. / Torrent, M. / McGaughey, G. / Lai, M.T. / Felock, P. / Munshi, V. / Distefano, D. / Flynn, J. / Miller, M. / Yan, Y. / Reid, J. / Sanchez, R. / Liang, Y. / Paton, B. / Wan, B.L. / Anthony, N.
External linksJ. Med. Chem. / PubMed:21985673
MethodsX-ray diffraction
Resolution2.4 - 2.6 Å
Structure data

PDB-3t19:
Crystal structure of HIV-1 reverse transcriptase (wild type) in complex with inhibitor M05
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3t1a:
Crystal Structure of HIV-1 Reverse Transcriptase (K103N mutant) in Complex with Inhibitor M05
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-5MA:
1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine

ChemComp-HOH:
WATER

Source
  • hiv-1 m:b_hxb2r (virus)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / HIV-1 reverse transcriptase / non-nucleoside inhibition / nucleotidyltrasferase / HIV-1 / TRANSFERASE-TRANSFERASE INHIBITOR complex / nucleotidyltranferase / TRANSFERASE

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