Title Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. Journal, issue, pages J. Med. Chem. , Vol. 63, Page 8296-8313, Year 2020Publish date Jun 28, 2019 (structure data deposition date) AuthorsRusere, L.N. / Lockbaum, G.J. / Henes, M. / Lee, S.K. / Spielvogel, E. / Rao, D.N. / Kosovrasti, K. / Nalivaika, E.A. / Swanstrom, R. / Kurt Yilmaz, N. ...Rusere, L.N. / Lockbaum, G.J. / Henes, M. / Lee, S.K. / Spielvogel, E. / Rao, D.N. / Kosovrasti, K. / Nalivaika, E.A. / Swanstrom, R. / Kurt Yilmaz, N. / Schiffer, C.A. / Ali, A. External links J. Med. Chem. / PubMed:32672965Methods X-ray diffraction Resolution 1.8 - 2.002 Å Structure data PDB-6pjb : Structure viewer HIV-1 Protease NL4-3 WT in Complex with Lopinavir Method : X-RAY DIFFRACTION / Resolution : 1.984 Å
PDB-6pjc : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR4-41 Method : X-RAY DIFFRACTION / Resolution : 1.965 Å
PDB-6pjd : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR2-32 Method : X-RAY DIFFRACTION / Resolution : 1.892 Å
PDB-6pje : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR2-43 Method : X-RAY DIFFRACTION / Resolution : 1.922 Å
PDB-6pjf : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR2-44 Method : X-RAY DIFFRACTION / Resolution : 1.94 Å
PDB-6pjg : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR3-97 Method : X-RAY DIFFRACTION / Resolution : 1.8 Å
PDB-6pjh : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR3-28 Method : X-RAY DIFFRACTION / Resolution : 1.85 Å
PDB-6pji : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR3-43 Method : X-RAY DIFFRACTION / Resolution : 1.9 Å
PDB-6pjk : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR3-29 Method : X-RAY DIFFRACTION / Resolution : 2.002 Å
PDB-6pjl : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR3-95 Method : X-RAY DIFFRACTION / Resolution : 1.993 Å
PDB-6pjm : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR2-35 Method : X-RAY DIFFRACTION / Resolution : 1.93 Å
PDB-6pjn : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR2-41 Method : X-RAY DIFFRACTION / Resolution : 1.98 Å
PDB-6pjo : Structure viewer HIV-1 Protease NL4-3 WT in Complex with LR2-42 Method : X-RAY DIFFRACTION / Resolution : 1.95 Å
Chemicals ChemComp-AB1 : Structure viewer N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE / antiretroviral, protease inhibitor*YM
ChemComp-OR1 : Structure viewer (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
ChemComp-OQY : Structure viewer (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
ChemComp-OPJ : Structure viewer (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate
ChemComp-OP7 : Structure viewer methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
ChemComp-ORV : Structure viewer (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate
ChemComp-OQG : Structure viewer (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
ChemComp-OO4 : Structure viewer methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
ChemComp-OQD : Structure viewer (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate
ChemComp-OQA : Structure viewer (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate
ChemComp-OQV : Structure viewer (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
ChemComp-OQP : Structure viewer (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate
ChemComp-OQ7 : Structure viewer methyl [(1S)-1-cyclopentyl-2-({(2S,4S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
Source human immunodeficiency virus 1 Keywords hydrolase/hydrolase inhibitor / HIV / NL4-3 PROTEASE / DRUG RESISTANCE / PROTEASE INHIBITOR / HYDROLASE INHIBITOR COMPLEX / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex