Pre-Conference Course
Modern Protein Drug Target Crystallography
Presented by: Dr. Bernhard Rupp, University of California
Note: This course precedes the Advances in Protein Crystallography conference
Who should attend?
This course will be suitable for executives, scientists, and technicians in the field of biological sciences and drug discovery, who wish to expand their knowledge in the rapidly advancing field of high throughput drug target crystallography. The course is designed for those who are considering to use crystallography as a tool in their research and wish an overview of the technique, as well as researchers already familiar with crystallography, who wish to learn more about cutting edge developments. Familiarity with the basic concepts of protein structure will help in following the course material..
The course includes protein crystallization demonstrations, actual structure determination using multiple anomalous dispersion methods and molecular replacement, model building and refinement, and structure validation, analysis and interpretation.
Upon completing this course, participants will:
| Obtain an overview of the strengths and limitations of drug target crystallography. |
| Understand the role and contributions of crystallography in the field of drug discovery. |
Understand fundamentals of crystallization and crystallographic
techniques. |
| Be able to assess quality and validity of protein drug target structures. |
| Analyze and use crystal structures for drug discovery. |
Topics and Course Organization
| 9:00-10:30 |
Introduction
Overview of Molecular Structure
The Role of Molecular Structure in Drug Discovery
Basic Principles of Crystallography |
|
Q&A session 1 (15 min) |
| 10:30-10:45 |
Coffee Break |
| 10:45-12:00 |
Protein Crystallization
Fundamentals of Protein Crystallization
Crystallization Techniques (with demonstration)
Crystallization Screening – Design Strategies
Optimization
Evaluation and Statistical Predictions
Cryoprotection
Crystal Harvesting |
|
Q&A session 2 (15 min) |
| 12:00-13:00 |
Lunch |
13:00-14:45
|
From Data to Structure
Data Collection Strategies
Phasing Principles and Examples
Phase Extension
Model Building
Model Refinement |
|
Q&A session 3 (15 min) |
| 14:45–15:00 |
Coffee Break |
| 15:00-16:30 |
From Structure to Knowledge
Validation of Protein Target Structures
Visualization and Analysis
Lead Optimization
Fragment Analysis and Virtual Ligand Screening |
|
Q&A session 4 (15 min) |
|
High Throughput Technologies – Implementation and New Trends |
16:30–17:00
|
Review and Wrap-up Discussions |