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TitleStructure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Year 2009
Publish dateJan 20, 2009 (structure data deposition date)
AuthorsAdachi, M. / Ohhara, T. / Kurihara, K. / Tamada, T. / Honjo, E. / Okazaki, N. / Arai, S. / Shoyama, Y. / Kimura, K. / Matsumura, H. ...Adachi, M. / Ohhara, T. / Kurihara, K. / Tamada, T. / Honjo, E. / Okazaki, N. / Arai, S. / Shoyama, Y. / Kimura, K. / Matsumura, H. / Sugiyama, S. / Adachi, H. / Takano, K. / Mori, Y. / Hidaka, K. / Kimura, T. / Hayashi, Y. / Kiso, Y. / Kuroki, R.
External linksProc. Natl. Acad. Sci. USA / PubMed:19273847
Methodsneutron diffraction / X-ray diffraction
Resolution0.93 - 1.9 Å
Structure data

PDB-2zye:
Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by Neutron Crystallography
Method: NEUTRON DIFFRACTION / Resolution: 1.9 Å

PDB-3fx5:
Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography
Method: X-RAY DIFFRACTION / Resolution: 0.93 Å

Chemicals

ChemComp-KNI:
(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide

ChemComp-DOD:
DEUTERATED WATER

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HIV-1 protease / acid protease / homodimer / Hydrolase / Multifunctional enzyme / HYDROLASE-HYDROLASE INHIBITOR complex / protease / Nucleotidyltransferase / Transferase

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