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TitleTargeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach.
Journal, issue, pagesMolecules, Vol. 28, Year 2023
Publish dateDec 10, 2022 (structure data deposition date)
AuthorsMansouri, M. / Rumrill, S. / Dawson, S. / Johnson, A. / Pinson, J.A. / Gunzburg, M.J. / Latham, C.F. / Barlow, N. / Mbogo, G.W. / Ellenberg, P. ...Mansouri, M. / Rumrill, S. / Dawson, S. / Johnson, A. / Pinson, J.A. / Gunzburg, M.J. / Latham, C.F. / Barlow, N. / Mbogo, G.W. / Ellenberg, P. / Headey, S.J. / Sluis-Cremer, N. / Tyssen, D. / Bauman, J.D. / Ruiz, F.X. / Arnold, E. / Chalmers, D.K. / Tachedjian, G.
External linksMolecules / PubMed:37049868
MethodsX-ray diffraction
Resolution2.42 Å
Structure data

PDB-8ffx:
Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 19980
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

Chemicals

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-XU9:
ethyl (8S)-4-(cyclopropylethynyl)pyrazolo[1,5-a]pyridine-3-carboxylate

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1 bh10
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / non nucleotide-reverse transcriptase inhibitor / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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