3S85

Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611.

Summary for 3S85

• Entry DOI: 10.2210/pdb3s85/pdb
• Related: 3gga 3ggv 3ggx
• Related PRD ID: PRD_000796
• Descriptor: Protease/reverse transcriptase, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate (2 entities in total)
• Functional Keywords: beta barrel, acid protease, aspartic-type endopepidase activity, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 12
• Total formula weight: 134192.57

Authors

DeGoey, D.A.,Flosi, W.J.,Grampovnik, D.J.,Flentge, C.A. (deposition date: 2011-05-27, release date: 2012-04-11, Last modification date: 2024-02-28)

• Primary citation: Degoey, D.A.,Grampovnik, D.J.,Flentge, C.A.,Flosi, W.J.,Chen, H.J.,Yeung, C.M.,Randolph, J.T.,Klein, L.L.,Dekhtyar, T.,Colletti, L.,Marsh, K.C.,Stoll, V.,Mamo, M.,Morfitt, D.C.,Nguyen, B.,Schmidt, J.M.,Swanson, S.J.,Mo, H.,Kati, W.M.,Molla, A.,Kempf, D.J.; 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.; J.Med.Chem., 52:2571-2586, 2009; PubMed: 19323562; DOI: 10.1021/jm900044w

Experimental method

X-RAY DIFFRACTION (2.8 Å)