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STRUCTURE OF INTEGRIN ALPHA V-beta 3 EXTRACELLULAR DOMAIN COMPLEXED WITH LIGAND

United States Patent Application

20050114109
A1
View the Complete Application at the US Patent & Trademark Office
Argonne National Laboratory - Visit the Technology Development and Commercialization Website
The present invention relates to structure-based methods for identifying molecules which will bind to the .alpha.A-lacking integrin .alpha.V.beta.3 receptor extracellular domain and modulate function, e.g., by acting as receptor agonists, such as agonists that induce some or all of the biological responses induced by the ligand Arg-Gly-Asp-(D-Phe)-(N-methyl-Val), although the methods are not limited to the identification of this particular class of agonist. The invention also provides a computer for producing a three-dimensional representation of a molecule or molecular complex, wherein said molecule or molecular complex comprises a binding pocket defined by structure coordinates of Table 1 or Table 2. In addition, the invention provides a crystal comprising an integrin IVJ3 extracellular domain alone or complexed with a cyclic RGD peptide as defined by the structural coordinates of Table 1 or Table 2.
Arnaout, M. Amin (Chestnut Hill, MA)
10/ 503,960
November 29, 2004
[0001] This research was supported by grants from the National Institutes of Health (NIDDK, NHLBI and NIAID) and in part by the U.S. Department of Energy, Office of Biological and Environmental Research, under contract W-31-109-Eng-38.