Promoting a structural view of biology for varied audiences: an overview of RCSB PDB resources and experiences

The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) serves a community of users with diverse backgrounds and interests. In addition to processing, archiving and distributing structural data, it also develops educational resources and materials to enable people to utilize PDB data and to further a structural view of biology

The RCSB Protein Data Bank: views of structural biology for basic and applied research and education.

The RCSB Protein Data Bank (RCSB PDB, http://www.rcsb.org) provides access to 3D structures of biological macromolecules and is one of the leading resources in biology and biomedicine worldwide. Our efforts over the past 2 years focused on enabling a deeper understanding of structural biology and providing new structural views of biology that support both basic and applied research and education. Herein, we describe recently introduced data annotations including integration with external biological resources, such as gene and drug databases, new visualization tools and improved support for the mobile web. We also describe access to data files, web services and open access software components to enable software developers to more effectively mine the PDB archive and related annotations. Our efforts are aimed at expanding the role of 3D structure in understanding biology and medicine

Knowledge Hidden in Nuances: From Molecules to Society

The Goal: We have discussed the theme of reintegrating biology several times at the national level over several decades (ex. A New Biology for the 21st Century, National Academy of Sciences, 2009). While these discussions are fruitful and certainly the topic may require an adaptive framework, we suggest a fundamental change in how the scientific community approaches this topic. In particular, we propose that biology can only be integrated when the structural, societal and methodological barriers to participation in biology are alleviated. A focus on the average or most prevalent approach or system - whether it is the structure of a protein, a biological process or pathway, or the average scientist - they all end up excluding observations, people, and ideas. In contrast, we propose a focus on and inclusion of nuances will enable us to examine the boundaries and rarer instances whether of topic or of people, enable us to explore, and learn from diversity that is currently unnoticed and may provide new perspectives, insights about the range of possibilities, and solutions to current challenges. By extending this paradigm to our society, including diverse perspectives and experiences may shed light on how we can learn about new ideas, tools, and resources to enhance our collective toolkits and approach solutions for problems we are addressing. The paper will compare the benefits of applying a nuanced approach at a molecular, cellular, organismal, and population levels and then extend this thinking to science and society. We think that including individuals and perspectives that are beyond the current majority/mainstream will enhance our understanding and ability to approach/address problems. Adding nuance to our understanding of science can come from better inclusion and integration. The intended audience for our Vision paper includes the National Science Foundation (NSF), academic and research institutions, and society at large. We hope that NSF has the potential to create and support opportunities for multiscale scientific explorations at the edge of the boundary (outside the averages). Knowledge derived from these observations and analyses can inspire new perspectives and/or solutions that are universally usable. Additionally, other Vision groups in the Reintegrating Biology meetings include topics that could benefit from the vision presented here (space, time, resilience, modelling, communication/signalling, networks, animal learning, biocomplexity). Academic and research institutions may utilize the proposed framework to review their institutional policies that directly or indirectly (via access to resources, opportunities etc.,) restrict collaborations based on interests and expertise. Our hope for society at large is to consider including, sharing, and respecting diverse perspectives and experiences

The Protein Data Bank and Its Uses in Structural Biology Education

The Protein Data Bank (PDB) is a repository for the structures of proteins and nucleic acids. Itcontains les of their 3-dimensional coordinates, information on how these structures were determinedand references to the journal articles describing them. The PDB was established in 1971 by HelenBerman (it s present director) and has grown exponentially so that it now contains 25,000 data lesrepresenting X-ray crystallographic, NMR and other structure determinations. Database queryingand data miningtools and resources at the PDB make it possible to search, compare and infer orpredict the function of newly identied proteins. Computer graphics capabilities make it possible foranyone to easily visualize and study the structural data. The capability to present beautiful graphicrepresentations of the 3-dimesnional structures of proteins and nucleic acids has been a boon to theeducation community. Communicating an understanding of these structures and the chemical forcesdetermining them and their interactions is one of the major aims of biochemistry and molecular biologyeducation. The ability to teach these principles visually has made a great dierence in our abilityto excite our students and provide them with physical interpretations for some abstract concepts inbiochemistry and molecular biology. In this talk we will explore some of the ways that the education community uses the PDB