3h0b | pdb_00003h0b

Discovery of aminoheterocycles as a novel beta-secretase inhibitor class

spinqualitylabelsall models 3h0b, resolution 2.70Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3h0b is a 3 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: B35 Gene: BACE, BACE1, beta-secretase, KIAA1149 (Homo sapiens) Activity: Memapsin 2, with EC number 3.4.23.46 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 We have developed a novel series of heteroaromatic BACE-1 inhibitors. These inhibitors interact with the enzyme in a unique fashion that allows for potent binding in a non-traditional paradigm. In addition to the elucidation of their binding profile, we have discovered a pH dependent effect on the binding affinity as a result of the intrinsic pK(a) of these inhibitors and the pH of the BACE-1 enzyme binding assay. Discovery of aminoheterocycles as a novel beta-secretase inhibitor class: pH dependence on binding activity part 1.,Stachel SJ, Coburn CA, Rush D, Jones KL, Zhu H, Rajapakse H, Graham SL, Simon A, Katharine Holloway M, Allison TJ, Munshi SK, Espeseth AS, Zuck P, Colussi D, Wolfe A, Pietrak BL, Lai MT, Vacca JP Bioorg Med Chem Lett. 2009 Jun 1;19(11):2977-80. Epub 2009 Apr 18. PMID:19409780 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Beta secretase

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