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TitlePotent HIV‐1 protease inhibitors containing oxabicyclo octanol-derived P2-ligands: Design, synthesis, and X‐ray structural studies of inhibitor-HIV-1 protease complexes.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 120, Page 130109-130109, Year 2025
Publish dateNov 19, 2024 (structure data deposition date)
AuthorsGhosh, A.K. / Yadav, M. / Sharma, A. / Johnson, M. / Prasad, R. / Amano, M. / Gerlits, O. / Kovalevsky, A. / Mitsuya, H.
External linksBioorg. Med. Chem. Lett. / PubMed:39848476
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-9eee:
Room-temperature X-ray structure of HIV-1 protease in complex with GRL-10624A inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-9eeg:
Room-temperature X-ray structure of HIV-1 protease in complex with GRL-11124A inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

PDB-1bhu:
THE 3D STRUCTURE OF THE STREPTOMYCES METALLOPROTEINASE INHIBITOR, SMPI, ISOLATED FROM STREPTOMYCES NIGRESCENS TK-23, NMR, MINIMIZED AVERAGE STRUCTURE

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

PDB-1bhv:
Unknown entry

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

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