(2000). A “dock-lock” mechanism has been proposed for the growth of the more complex β-amyloid (Aβ1-40) by Maggio and co-workers:
A detailed description of the X-ray crystallographic structure and intermolecular packing mode of macrocycle 1h and several related macrocycles will be elaborated in a separate paper.
(2004). A preferred direction of growth has also been observed in amyloid ﬁbrils of Aβ1-40 and insulin:(a)
(2006). Alternative models of related peptides based on low-resolution ﬁber and powder diﬀraction data have also been
Amino acid residues in peptide names and amino acid side chainsinchemicalstructures arebothdesignatedwiththestandardoneletter codes for natural amino acids, for example, V for valine, Q for glutamine, K for lysine,
Attempts to synthesize a double N-methyl macrocycle with N-methyl groups on R2 glutamine and R4 valine proved unsuccessful.3157
Coordinates of the STAG(-2) model were provided by Dr. Robert Tycko.
(2009). Drug Discovery
Initially we tried using Teﬂon mixing balls in the wells, but we found that the data were more reproducible and less noisy without mixing balls. Teﬂon mixing balls are commonly used in ThT ﬂuorescence assays of Aβ aggregation.
(2000). P r o c .N a t l .A c a d .S c i .U . S . A
The macrocycles are named with the one-letter codes for residues at the R1-R7 positions.
(2000). The molecular template is called “Hao” because it comprises hydrazine, 5-amino-2-methoxybenzoic acid, and oxalic acid groups.
(2002). The PyMOL Molecular Graphics System DeLano Scientiﬁc:
(1994). Trends Cell Biol.
δ-linked ornithines are replaced by R-linked ornithines, but we encountered diﬃculty in cyclization.