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TitleExtreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1'-Pyrrolidinone or P2-Tris-tetrahydrofuran.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 4017-4027, Year 2013
Publish dateFeb 7, 2013 (structure data deposition date)
AuthorsAgniswamy, J. / Shen, C.H. / Wang, Y.F. / Ghosh, A.K. / Rao, K.V. / Xu, C.X. / Sayer, J.M. / Louis, J.M. / Weber, I.T.
External linksJ. Med. Chem. / PubMed:23590295
MethodsX-ray diffraction
Resolution1.31 - 1.8 Å
Structure data

PDB-4j54:
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-0519A
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-4j55:
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-02031
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-4j5j:
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Amprenavir
Method: X-RAY DIFFRACTION / Resolution: 1.8 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-IOD:
IODIDE ION

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-031:
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate

ChemComp-CL:
Unknown entry

ChemComp-478:
{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER / protease inhibitor, medication*YM

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/HYDROLASE INHIBITOR / multidrug resistant HIV-1 protease clinical isolate PR20 / clinical inhibitor Amprenavir / potent antiviral inhibitor GRL-0519A / potent antiviral inhibitor GRL-02031 / HYDROLASE-HYDROLASE INHIBITOR complex

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