2xcf

Crystal structure of HCV NS3 protease with a boronate inhibitor

spinqualitylabelsall models 2xcf, resolution 2.48Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2xcf is a 4 chain structure with sequence from 9hepc. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: BBQ, MG, ZN Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed We have designed and synthesized a novel series of alpha-amino cyclic boronates and incorporated them successfully in several acyclic templates at the P1 position. These compounds are inhibitors of the HCV NS3 serine protease, and structural studies show that they inhibit the NS3 protease by trapping the Ser-139 hydroxyl group in the active site. Synthetic methodologies and SARs of this series of compounds are described. Synthesis and evaluation of novel alpha-amino cyclic boronates as inhibitors of HCV NS3 protease.,Li X, Zhang YK, Liu Y, Ding CZ, Li Q, Zhou Y, Plattner JJ, Baker SJ, Qian X, Fan D, Liao L, Ni ZJ, White GV, Mordaunt JE, Lazarides LX, Slater MJ, Jarvest RL, Thommes P, Ellis M, Edge CM, Hubbard JA, Somers D, Rowland P, Nassau P, McDowell B, Skarzynski TJ, Kazmierski WM, Grimes RM, Wright LL, Smith GK, Zou W, Wright J, Pennicott LE Bioorg Med Chem Lett. 2010 Jun 15;20(12):3550-6. Epub 2010 May 20. PMID:20493689 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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