2kp8

Ligand bound to a model peptide that mimics the open fusogenic form

spinqualitylabelsall models 2kp8, 5 NMR models Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2kp8 is a 3 chain structure with sequence from Escherichia coli. Full experimental information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: XIG Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed The ectodomain of HIV-1 gp41 mediates the fusion of viral and host cellular membranes. The peptide-based drug Enfuvirtide(1) is precedent that antagonists of this fusion activity may act as anti HIV-agents. Here, NMR screening was used to discover non-peptide leads against this target and resulted in the discovery of a new benzamide 1 series. This series is non-peptide, low molecular weight, and analogs have activity in a cell fusion assay with EC50 values ranging 3-41microM. Structural work on the gp41/benzamide 1 complex was determined by NMR spectroscopy using a designed model peptide system that mimics an open pocket of the fusogenic form of the protein. Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.,Stewart KD, Huth JR, Ng TI, McDaniel K, Hutchinson RN, Stoll VS, Mendoza RR, Matayoshi ED, Carrick R, Mo H, Severin J, Walter K, Richardson PL, Barrett LW, Meadows R, Anderson S, Kohlbrenner W, Maring C, Kempf DJ, Molla A, Olejniczak ET Bioorg Med Chem Lett. 2010 Jan 15;20(2):612-7. Epub 2009 Nov 20. PMID:20004576 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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