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TitleIdentification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 5138-5153, Year 2018
Publish dateOct 29, 2017 (structure data deposition date)
AuthorsHidaka, K. / Kimura, T. / Sankaranarayanan, R. / Wang, J. / McDaniel, K.F. / Kempf, D.J. / Kameoka, M. / Adachi, M. / Kuroki, R. / Nguyen, J.T. ...Hidaka, K. / Kimura, T. / Sankaranarayanan, R. / Wang, J. / McDaniel, K.F. / Kempf, D.J. / Kameoka, M. / Adachi, M. / Kuroki, R. / Nguyen, J.T. / Hayashi, Y. / Kiso, Y.
External linksJ. Med. Chem. / PubMed:29852069
MethodsX-ray diffraction
Resolution0.85 - 1.5 Å
Structure data

PDB-5yoj:
Structure of A17 HIV-1 Protease in Complex with Inhibitor KNI-1657
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5yok:
Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657
Method: X-RAY DIFFRACTION / Resolution: 0.85 Å

Chemicals

ChemComp-8Z0:
(4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/HYDROLASE INHIBITOR / inhibitor / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex

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