2hm1

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2hm1, resolution 2.200Å

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Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor (2)

Overview

We describe an optimized series of acyclic hydroxyethylamine transition, state isosteres of beta-secretase that incorporates a variety of P(2) side, chains that yield potent inhibitors with excellent cellular activity. A, 2.2A crystal structure of compound 13 is shown.

About this Structure

2HM1 is a Single protein structure of sequence from Homo sapiens with LIQ as ligand. Active as Memapsin 2, with EC number 3.4.23.46 Full crystallographic information is available from OCA.

Reference

Design of potent inhibitors of human beta-secretase. Part 2., Freskos JN, Fobian YM, Benson TE, Moon JB, Bienkowski MJ, Brown DL, Emmons TL, Heintz R, Laborde A, McDonald JJ, Mischke BV, Molyneaux JM, Mullins PB, Bryan Prince D, Paddock DJ, Tomasselli AG, Winterrowd G, Bioorg Med Chem Lett. 2007 Jan 1;17(1):78-81. Epub 2006 Oct 4. PMID:17049233

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