Interactive JIMD articles using the iSee concept: turning a new page on structural biology data

Abstract

Since its inception, researchers in structural biology have reported detailed molecular models of macromolecules involved in the functioning of the human body. This wealth of information has provided a better understanding of the molecular mechanisms by which the proteins and enzymes perform their biochemical and physiological functions. Several scientific fields have benefited from these advancements, including clinicians and those studying inherited metabolic disorders caused by mutational defects in proteins. Furnished with structural data, scientists are able to make sense of the different mutations observed in patients and understand their effects at the protein level (Yue and Oppermann 2011). In recent years, advances in high-throughput methods and concerted structural genomics efforts have yielded a large increase in the number of publically available solved structures. The Structural Genomics Consortium (SGC) was created in 2004 to tackle the challenging task of solving structures of medically relevant human proteins in a high-throughput manner (Gileadi et al. 2007; Weigelt 2010). While contributing to over 20% of novel protein structures in the public domain, the SGC recognised that dissemination of its results and data beyond the boundaries of structural biology is fundamental in promoting tangible advancements in human health and medicine. This has been the main motivation behind the development of the iSee concept by the SGC, in collaboration with MolSoft L.L.C., as a means to enable flexible, instructive and intuitive data dissemination (Abagyan et al. 2006). The iSee concept provides a flexible and intuitive tool to deliver text annotation and easy-to-use interactive molecular graphics to authors and readers alike. In one single file, the authors can include many different data types, including full atomic coordinates of protein structures or chemical compounds, DNA and amino acid sequences, images, tables, text and molecular graphics animations. These files can be created, viewed and edited using the free ICM Browser software provided by Communicated by: Verena Peters