This web-based application allows easy perusal of 3D structural data by the entire research project team. The key concept is the use of the same XYZ-space for related projects/target families. Thus, all in-house and published X-ray structures as well as modeled structures can be easily compared.  Current implementation includes kinase and protease structural domains. Since structures are loaded into a viewer on demand, there is no size limit to the overall structure collection.Browsing and selecting molecules is aided by 2D-structure image links and hierarchical organization into subsections like targets, target families, and chemotypes. Kinases were additionally organized by hinge binding motif. Text, substructure, and similarity searches can be made and model annotations are stored. 3D visualization supports both DS Viewer (Accelrys) and Pymol (Schr�dinger) and the web GUI is driven by Pipeline Pilot.Application of this Portal to the drug discovery process will be exemplified by several project examples.

Gilead Sciences structure portal: An integrated solution to organize and disseminate 3D structural project data

248th National Meeting (2014)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.