2vw5 | pdb_00002vw5

STRUCTURE OF THE HSP90 INHIBITOR 7-O-CARBAMOYLPREMACBECIN BOUND TO THE N- TERMINUS OF YEAST HSP90

spinqualitylabelsall models 2vw5, resolution 1.90Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2vw5 is a 4 chain structure with sequence from Saccharomyces cerevisiae. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: BC6, SO4 Related: 1hk7, 1a4h, 1us7, 2bre, 2cg9, 1ah6, 1usv, 1bgq, 2iws, 1amw, 2brc, 1zwh, 1usu, 1ah8, 2cgf, 2iwu, 1am1, 2vls, 2iwx, 2cge, 1zw9, 2akp Resources: FirstGlance, OCA, RCSB, PDBsum 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 biosynthetic medicinal chemistry approach was applied to the optimization of the natural product Hsp90 inhibitor macbecin. By genetic engineering, mutants have been created to produce novel macbecin analogues including a nonquinone compound (5) that has significantly improved binding affinity to Hsp90 (Kd 3 nM vs 240 nM for macbecin) and reduced toxicity (MTD > or = 250 mg/kg). Structural flexibility may contribute to the preorganization of 5 to exist in solution in the Hsp90-bound conformation. Optimizing natural products by biosynthetic engineering: discovery of nonquinone Hsp90 inhibitors.,Zhang MQ, Gaisser S, Nur-E-Alam M, Sheehan LS, Vousden WA, Gaitatzis N, Peck G, Coates NJ, Moss SJ, Radzom M, Foster TA, Sheridan RM, Gregory MA, Roe SM, Prodromou C, Pearl L, Boyd SM, Wilkinson B, Martin CJ J Med Chem. 2008 Sep 25;51(18):5494-7. PMID:18800759 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Heat Shock Proteins

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