Data Mining in Structural Biology

1. Front Matter

   Pages I-XIII

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2. Growth Factor Regulation of Kinases

   • C.-H. Heldin

   Pages 1-18

3. Cell Cycle Regulation by Protein Kinases and Phosphatases

   • E. A. Nigg

   Pages 19-46

4. Structural Basis for Substrate Recognition and Control in Protein Kinases

   • L. N. Johnson

   Pages 47-69

5. The Selectivity of Small Molecules Towards Protein Tyrosine Kinases

   • A. Levitzki

   Pages 71-80

6. Elements of Signal Transduction in Drug Discovery with Special Reference to Inhibitors of Protein Kinase C

   • H. H. Grunicke, S. Kampfer, M. Spitaler, F. Hochholdinger, G. Baier, F. Überall

   Pages 81-99

7. The Berlin “Protein Structure Factory” Initiative: A Technology-Oriented Approach to Structural Genomics

   • U. Heinemann

   Pages 101-121

8. Structure-Based Approaches in Modern Drug Discovery Research

   • F. K. Winkler, D. W. Banner, H.-J. Böhm

   Pages 123-142

9. DNA Recognition by NFκB and STAT Transcription Factors

   • C. W. Müller

   Pages 143-166

10. Molecular Determinants for Agonist and Antagonist Binding to Steroid Nuclear Receptors

    • J.-M. Wurtz, D. Moras

    Pages 167-180

11. Estrogen Receptor-Cofactor Interactions as Targets for Novel Drug Discovery

    • J. D. Norris, C. Chang, D. P. McDonnell

    Pages 181-201

12. Back Matter

    Pages 203-209

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Structural biology is becoming a routine technique for structure de­ termination in pharmaceutical industries. The advances in molecular biology, crystal handling and data collection techniques, tunable syn­ chrotron radiation sources, and high-performance computing have all contributed to developments such as the production and expression of tailored protein domains, the use of the MAD (Multiple Anomalous Dispersion) method, and the collection of X-ray data from tiny crystals at cryogenic temperature. The number of protein structures deposited in the Protein Databank has increased tremendously over the last 3-4 years. Since 1997, more than 1,500 structures have been deposited each year, and during the first 7 months of this year, 1,500 protein structures were already deposited. The numerous initiatives in the field of "structural genomics" distributed all over the world have led to the development of techniques for high-throughput structure determina­ tion, thereby contributing to the increase in the determination of three­ dimensional protein structures. This structural information is being ex­ plored in various ways in the drug discovery process. It is not only used in structure-based drug design of new low-molecular-weight li­ gands, but also in the early stages of target validation and assessment. With the number of protein sequences without significant homology to well-known proteins increasing, the technique of structure-sequence compatibility (threading) is increasingly used to assign a function to a given protein fold.

• DNA
• Transcription Factors
• biology
• cell
• cell cycle
• data mining
• drug design
• protein
• protein structure
• proteins
• receptor
• regulation
• signal transduction
• structural biology
• transcription

• Department of Biophysical Chemistry, Max-Planck-Institute for Molecular Physiology, Dortmund, Germany

  I. Schlichting

• Research Laboratories, Schering AG, Berlin, Germany

  U. Egner

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