3m9f | pdb_00003m9f

HIV protease complexed with compound 10b

spinqualitylabelsall models 3m9f, resolution 1.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3m9f is a 2 chain structure with sequence from 9hiv1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 595, CL Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed A series of HIV-1 protease inhibitors containing an epsilon substituted lysinol backbone was synthesized. Two novel synthetic routes using N-boc-L-glutamic acid alpha-benzyl ester and 2,6-diaminopimelic acid were developed. Incorporation of this epsilon substituent enabled access to the S2 pocket of the enzyme, affording high potency inhibitors. Modeling studies and synthetic efforts suggest the potency increase is due to both conformational bias and van der Waals interactions with the S2 pocket. Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors.,Jones KL, Holloway MK, Su HP, Carroll SS, Burlein C, Touch S, DiStefano DJ, Sanchez RI, Williams TM, Vacca JP, Coburn CA Bioorg Med Chem Lett. 2010 Jul 15;20(14):4065-8. Epub 2010 May 25. PMID:20547452 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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