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 Cited by PubMed: 19323562DOI: 10.1021/jm900044w PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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