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TitleEnhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1
Journal, issue, pagesTo be Published
Publish dateNov 26, 2014 (structure data deposition date)
AuthorsYedidi, R.S. / Maeda, K. / Aoki, M. / Garimella, H. / Rao, K.V. / Akasapu, S. / Davis, D.A. / Kaufman, J.D. / Das, D. / Wingfield, P.T. ...Yedidi, R.S. / Maeda, K. / Aoki, M. / Garimella, H. / Rao, K.V. / Akasapu, S. / Davis, D.A. / Kaufman, J.D. / Das, D. / Wingfield, P.T. / Amano, M. / Ghosh, A.K. / Mitsuya, H.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.6 - 1.99 Å
Structure data

PDB-4rvi:
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL0519
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-4rvj:
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with amprenavir
Method: X-RAY DIFFRACTION / Resolution: 1.6 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-HOH:
WATER

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 / HIV-1 PROTEASE-INHIBITOR COMPLEX / GRL0519 / G52 / PROTEASE INHIBITOR / NON-PEPTIDIC PROTEASE INHIBITOR / Hydrolase / hydrolase-hydrolase inhibitor complex / amprenavir

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