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Structure paper

TitleRational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 10601-, Year 2012
Publish dateOct 14, 2012 (structure data deposition date)
AuthorsChong, P. / Sebahar, P. / Youngman, M. / Garrido, D. / Zhang, H. / Stewart, E.L. / Nolte, R.T. / Wang, L. / Ferris, R.G. / Edelstein, M. ...Chong, P. / Sebahar, P. / Youngman, M. / Garrido, D. / Zhang, H. / Stewart, E.L. / Nolte, R.T. / Wang, L. / Ferris, R.G. / Edelstein, M. / Weaver, K. / Mathis, A. / Peat, A.
External linksJ. Med. Chem. / PubMed:23137340
MethodsX-ray diffraction
Resolution2.12 - 2.9 Å
Structure data

PDB-2ynf:
HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560
Method: X-RAY DIFFRACTION / Resolution: 2.36 Å

PDB-2yng:
HIV-1 Reverse Transcriptase in complex with inhibitor GSK560
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-2ynh:
HIV-1 Reverse Transcriptase in complex with inhibitor GSK500
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-2yni:
HIV-1 Reverse Transcriptase in complex with inhibitor GSK952
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-TAR:
D(-)-TARTARIC ACID

ChemComp-WHU:
2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide

ChemComp-HOH:
WATER

ChemComp-SRT:
S,R MESO-TARTARIC ACID

ChemComp-EUR:
4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide

ChemComp-CXD:
4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide

Source
  • hiv-1 m\:b_hxb2r (virus)
KeywordsHYDROLASE / NNRTI

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