From Molecules to Medicines

This volume comprises papers presented at the 40th Erice Course From Molecules to Medicine: Structure of Biological Macromolecules and Its Relevance in Combating New Diseases and Bioterrorism , May 29 to June 8, 2008. The papers span the breadth of material presented, which emp- size the practical aspects of modern macromolecular crystallography and its applications to medicine. Topics addressed span from the selection of targets, through to structure determination, interpretation and exploitation. A particular theme that emerges is the dependence of modern structural science on multiple experimental and computational techniques. It is both the development of these techniques and their integration that will take us forward in the future. The NATO ASI directors worked alongside, and offer deep gratitude to Prof. Sir Tom Blundell, Director of the International School of Crystal- graphy, Dr Colin Groom, Dr Neera Borkakoti, Dr John Irwin and Prof. Lodovico Riva di Sanseverino, who were in turn supported by a number of local facilitators. The course was financed by NATO as an Advanced Study Institute. Additional support was given by the European Crystallographic Association, the International Union of Biochemistry and Molecular Biology, the Int- national Union of Crystallography, the University of Bologna, AstraZeneca, Roche, Merck & Co., Boehringer Ingelheim, Bruker Corporation, Douglas Instruments, Informa UK, the Department of Pharmaceutical Chemistry, TTP Lab Tech, University of California at San Francisco. Joel L. Sussman and Paola Spadon

All chapters written by leading scientists in the field Presents a state-of-the-art overview of the subject First comprehensive book on the rapidly evolving field

Klappentext

This volume comprises papers presented at the 40th Erice Course From Molecules to Medicine: Structure of Biological Macromolecules and Its Relevance in Combating New Diseases and Bioterrorism , May 29 to June 8, 2008. The papers span the breadth of material presented, which emp- size the practical aspects of modern macromolecular crystallography and its applications to medicine. Topics addressed span from the selection of targets, through to structure determination, interpretation and exploitation. A particular theme that emerges is the dependence of modern structural science on multiple experimental and computational techniques. It is both the development of these techniques and their integration that will take us forward in the future. The NATO ASI directors worked alongside, and offer deep gratitude to Prof. Sir Tom Blundell, Director of the International School of Crystal- graphy, Dr Colin Groom, Dr Neera Borkakoti, Dr John Irwin and Prof. Lodovico Riva di Sanseverino, who were in turn supported by a number of local facilitators. The course was financed by NATO as an Advanced Study Institute. Additional support was given by the European Crystallographic Association, the International Union of Biochemistry and Molecular Biology, the Int- national Union of Crystallography, the University of Bologna, AstraZeneca, Roche, Merck & Co., Boehringer Ingelheim, Bruker Corporation, Douglas Instruments, Informa UK, the Department of Pharmaceutical Chemistry, TTP Lab Tech, University of California at San Francisco. Joel L. Sussman and Paola Spadon

Zusammenfassung
Proceedings of the NATO Advanced Study Institute on Integrating Crystallography in the Fight Against Terrorism Erice, Italy 29 May - 8 June 2008

Inhalt
Surface Proteins of Gram-Positive Pathogens: Using Crystallography to Uncover Novel Features in Drug and Vaccine Candidates.- The Rapid Crystallization Strategy for Structure-Based Inhibitor Design.- Fragment-Based Drug Discovery in Academia: Experiences From a Tuberculosis Programme.- Structural Biology Contributions to the Discovery of Drugs to Treat Chronic Myelogenous Leukemia.- Integrating Crystallography into Early Metabolism Studies.- The Foundations of ProteinLigand Interaction.- Structure-Based Design of Trna-Guanine Transglycosylase Inhibitors.- Progress on New Hepatitis C Virus Targets: NS2 and NS5A.- Protein Structure Modeling.- Structural Biology and Molecular Modeling in the Design of Novel DPP-4 Inhibitors.- Tools to Make 3D Structural Data More Comprehensible: Emovie & Proteopedia.- Structural Studies on Acetylcholinesterase and Paraoxonase Directed Towards Development of Therapeutic Biomolecules for the Treatment of Degenerative Diseases and Protection Against Chemical Threat Agents.- Protein Function Prediction from Structure in Structural Genomics and its Contribution to the Study of Health and Disease.- Crystal Structures of the ?2-Adrenergic Receptor.- Can Structures Lead to Better Drugs? Lessons from Ribosome Research.