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Structure paper

TitleNovel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 1074-1083, Year 2013
Publish dateOct 2, 2012 (structure data deposition date)
AuthorsZhang, H. / Wang, Y.F. / Shen, C.H. / Agniswamy, J. / Rao, K.V. / Xu, C.X. / Ghosh, A.K. / Harrison, R.W. / Weber, I.T.
External linksJ. Med. Chem. / PubMed:23298236
MethodsX-ray diffraction
Resolution1.06 - 1.49 Å
Structure data

PDB-4hdb:
Crystal Structure of HIV-1 protease mutants D30N complexed with inhibitor GRL-0519
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-4hdf:
Crystal Structure of HIV-1 protease mutants V82A complexed with inhibitor GRL-0519
Method: X-RAY DIFFRACTION / Resolution: 1.29 Å

PDB-4hdp:
Crystal Structure of HIV-1 protease mutants I50V complexed with inhibitor GRL-0519
Method: X-RAY DIFFRACTION / Resolution: 1.22 Å

PDB-4he9:
Crystal Structure of HIV-1 protease mutants I54M complexed with inhibitor GRL-0519
Method: X-RAY DIFFRACTION / Resolution: 1.06 Å

PDB-4heg:
Crystal Structure of HIV-1 protease mutants R8Q complexed with inhibitor GRL-0519
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

Chemicals

ChemComp-G52:
(3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1
KeywordsHYDROLASE/Hydrolase Inhibitor / aspartic acid protease / drug resistance / HIV-1 protease inhibitor GRL-0519 / HYDROLASE-Hydrolase Inhibitor complex

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