2QZL

Crystal Structure of human Beta Secretase complexed with IXS

Summary for 2QZL

• Entry DOI: 10.2210/pdb2qzl/pdb
• Related: 2QZK
• Descriptor: Beta-secretase 1, N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide (3 entities in total)
• Functional Keywords: aspartyl protease, bace, alternative splicing, glycoprotein, hydrolase, membrane, transmembrane, zymogen
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 1
• Total formula weight: 46453.30

Authors

Munshi, S. (deposition date: 2007-08-16, release date: 2008-04-22, Last modification date: 2024-10-09)

Primary citation

Coburn, C.A.,Stachel, S.J.,Jones, K.G.,Steele, T.G.,Rush, D.M.,DiMuzio, J.,Pietrak, B.L.,Lai, M.T.,Huang, Q.,Lineberger, J.,Jin, L.,Munshi, S.,Holloway, K.M.,Espeseth, A.,Simon, A.,Hazuda, D.,Graham, S.L.,Vacca, J.P.
BACE-1 inhibition by a series of psi[CH2NH] reduced amide isosteres
Bioorg.Med.Chem.Lett., 16:3635-3638, 2006

PubMed Abstract: A series of beta-site amyloid precursor protein cleaving enzyme (BACE-1) inhibitors containing a psi(CH2NH) reduced amide bond were synthesized. Incorporation of this reduced amide isostere as a non-cleavable peptide surrogate afforded inhibitors possessing low nanomolar potencies in both an enzymatic and cell-based assay.

PubMed: 16690314
DOI: 10.1016/j.bmcl.2006.04.076

Experimental method

X-RAY DIFFRACTION (1.8 Å)