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Structure paper

TitleSubstituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 5088-5095, Year 2015
Publish dateFeb 23, 2015 (structure data deposition date)
AuthorsAgniswamy, J. / Louis, J.M. / Shen, C.H. / Yashchuk, S. / Ghosh, A.K. / Weber, I.T.
External linksJ. Med. Chem. / PubMed:26010498
MethodsX-ray diffraction
Resolution1.3 - 1.35 Å
Structure data

PDB-4ye3:
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 with Inhibitor GRL-4410A
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-4yhq:
Crystal structure of multidrug resistant clinical isolate PR20 with GRL-5010A
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-Y1:
YTTRIUM ION

ChemComp-CL:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-G04:
(3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate

ChemComp-HOH:
WATER

ChemComp-G10:
(3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

ChemComp-NA:
Unknown entry

Source
  • human immunodeficiency virus type 1 group m subtype b
  • human immunodeficiency virus type 1 group m subtype
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HIV-1 Protease / Drug resistance / HYDROLASE-HYDROLASE INHIBITOR complex / HIV Protease / Mutant / Drug resistant / Inhibitor

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