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Protein Dynamics, Allostery and Function (E3)

Organizer(s): Ivet Bahar and Lila M. Gierasch
June 5 - 10, 2009
Keystone Resort  ·  Keystone, Colorado
Abstract Deadline: February 5, 2009
Late Abstract Deadline: March 5, 2009
Scholarship Deadline: February 5, 2009
Early Registration Deadline: April 6, 2009


Supported by the Directors' Fund



This meeting took place in the 2009 season.

For a complete list of the meetings for the upcoming/current season,
see our meeting list, or search for a meeting.
Summary of Meeting
With recent progress in exploring biomolecular systems dynamics, an emerging view is that of the ‘intrinsic ability’ of biomolecular systems to populate an ensemble of fluctuating conformations, or alternative states, which include, in particular, the functional forms stabilized upon ligand/substrate binding or protein-protein interactions. Allosteric changes in conformations, or signal transduction mechanisms, thus emerge as properties encoded by the structure and energy landscape, which are evolutionarily selected due to their functional predisposition. Of particular interest is to elucidate the mechanisms of information flow, not only at the level of residue interactions, but also between the components of biomolecular machines or cell signaling networks. This Keystone Symposia meeting will provide a forum for researchers from diverse fields to explore the basic principles underlying allosteric responses at the molecular level, and their higher (cellular) level consequences, and to exchange expertise on methods to illuminate key dynamic properties of biomolecular systems.

Friday, June 5
3:00 - 7:30 PM Registration Shavano Peak Foyer
6:30 - 7:30 PM Refreshments Shavano Peak Foyer
7:30 - 8:30 PM Keynote Address Red Cloud Peak
Kenneth A. Dill, University of California, San Francisco
Protein Folding: Physical Approaches to Predicting Structures and Stabilities
Saturday, June 6
7:00 - 8:00 AM Breakfast Crestone Peak
8:00 - 11:00 AM Dynamics, Energy Landscapes and Evolutionary Selection Red Cloud Peak
Hans Frauenfelder, Los Alamos National Laboratory
A Unified Model of Protein Dynamics
Cecilia Clementi, Rice University
Prediction of Protein Functional States by Multi-Resolution Protein Modeling
Michele Vendruscolo, University of Cambridge
Advances in the use of NMR Spectroscopy to Characterize Free Energy Landscapes of Proteins
Walter Englander, University of Pennsylvania
Short Talk: How Proteins Fold
Matthias Buck, Case Western Reserve University, Medical School
Short Talk: Conformational Coupling in an Effector-GTPase Interaction: Differences in the Complex Formation of the Plexin GTPase Binding Domain with Rac1 and Rnd1
9:20 - 9:40 AM Coffee Break Shavano Peak Foyer
11:00 AM - On Own for Lunch
11:00 AM - 1:00 PM Poster Setup Crestone Peak
1:00 - 10:00 PM Poster Viewing Crestone Peak
2:30 - 4:30 PM Workshop Red Cloud Peak
* Ada Yonath, Weizmann Institute of Science
Chad M. Petit, University of North Carolina
Entropically Modulated Function in a PDZ domain
Miles A. Pufall, University of California-San Francisco
Modulating Protein Function: DNA as an Allosteric Effector of Glucocorticoid Receptor Activity
Paula Therese Lang, University of California, Berkeley
Ghosts in the Machines: Using Novel X-Ray Crystallographic Methods to Identify Side Chain Polymorphism in Protein-Ligand Interactions
Jianpeng Ma, Baylor College of Medicine
Minimalist Network Model (MNM): A Novel Coarse-grained Normal Mode Analysis
Eileen K. Jaffe, Fox Chase Cancer Center
Dynamic Dissociating Homo-Oligomers and Allosteric Regulation
Gail E. Fanucci, University of Florida
Monitoring Motions and Flexibility of HIV-1 Protease with Pulsed EPR Spectroscopy
Ahmet Bakan, University of Pittsburgh
Effect of Inhibitor Binding on Protein Structure and Dynamics: Intrinsic Dynamics or Induced Dynamics?
Michelle A. Markus, Wyeth Pharmaceuticals
Identifying Novel, Non-Chelating Inhibitors of MMP-9 using Virtual Screening, NMR Spectroscopy, and X-Ray Crystallography
4:30 - 5:00 PM Coffee Available Shavano Peak Foyer
5:00 - 7:00 PM Catalysis and Allostery Red Cloud Peak
* Amnon Horovitz, Weizmann Institute of Science
Patrick Loria, Yale University
Short and Long-Range Interactions and Motions and their Impact on Enzyme Function
Sebastian Doniach, Stanford University
Allostery and riboswitch function
Susan S. Taylor, University of California, San Diego
Dynamics of Signaling by PKA
Andrea Mozzarelli, University of Parma
Short Talk: Hemoglobin: Still the Paradigm for Allostery
7:00 - 8:00 PM Social Hour w/ Lite Bites Crestone Peak
7:30 - 10:00 PM Poster Session 1 Crestone Peak
Sunday, June 7
7:00 - 8:00 AM Breakfast Crestone Peak
8:00 - 8:50 AM Keynote Address Red Cloud Peak
Jean-Pierre Changeux, Institut Pasteur
The Nicotinic Acetylcholine Receptor: A Membrane Allosteric Protein Engaged in Neuronal Communication
8:50 - 11:15 AM Allosteric Events in Membrane Proteins Red Cloud Peak
D. Peter Tieleman, University of Calgary
Coupling between Nucleotide Binding and Transmembrane Domains in ABC Transporters
Ivet Bahar, University of Pittsburgh
Allosteric Dynamics of Glutamate Transporters: Insights from Multiscale Computations
Heidi E. Hamm, Vanderbilt University School of Medicine
Allosteric Connections from a G Protein-Coupled Receptor to the Nucleotide-Binding Pocket of a Heterotrimeric G Protein
* Ofer Yifrach, Ben-Gurion University of the Negev
Short Talk: Principles Underlying Energetic Coupling Along an Allosteric Communication Trajectory of a Voltage-Activated K+ Channel
Nikolaos G. Sgourakis, Rensselaer Polytechnic Institute
Short Talk: Simulation of a Protein Tertiary Complex: Study of the Interaction Interface and Conformational Dynamics of Dark State Rhodopsin in Complex with Transducin
9:20 - 9:40 AM Coffee Break Shavano Peak Foyer
11:30 AM - On Own for Lunch
11:30 AM - 1:00 PM Poster Setup Crestone Peak
1:00 - 10:00 PM Poster Viewing Crestone Peak
4:30 - 5:00 PM Coffee Available Shavano Peak Foyer
5:00 - 7:15 PM Dynamics and Biomolecular Machines Red Cloud Peak
* David A. Agard, University of California, San Francisco
Ada Yonath, Weizmann Institute of Science
Ribosomal Machinery: Peptide Bond Formation, Chaperone Assistance, and Antibiotics Inactivation
Devarajan Thirumalai, University of Maryland
Structural Basis of Allosteric Transitions in Biological Machines: Common Themes
Amnon Horovitz, Weizmann Institute of Science
Linking Allostery in Chaperonins to Protein Folding
Lars Skjaerven, Universitetet i Bergen
Short Talk: Discovering the Intrinsic Dynamical Abilities of the GroEL Subunit by Molecular Dynamics Simulation
David P. Giedroc, Indiana University
Short Talk: Structure and Energetics of Metal-induced Allosteric Regulation of DNA binding by ArsR Family Metal Sensor Proteins
7:15 - 8:15 PM Social Hour w/ Lite Bites Crestone Peak
7:30 - 10:00 PM Poster Session 2 Crestone Peak
Monday, June 8
7:00 - 8:00 AM Breakfast Crestone Peak
8:00 - 11:15 AM Signal Propagation in Molecular and Cellular Systems I Red Cloud Peak
9:20 - 9:40 AM Coffee Break Shavano Peak Foyer
11:15 AM - On Own for Lunch
11:15 AM - 1:00 PM Poster Setup Crestone Peak
1:00 - 10:00 PM Poster Viewing Crestone Peak
4:30 - 5:00 PM Coffee Available Shavano Peak Foyer
5:00 - 7:15 PM Signal Propagation in Molecular and Cellular Systems II Red Cloud Peak
* Susan S. Taylor, University of California, San Diego
Rama Ranganathan, University of Texas Southwestern Medical Center
The Evolutionary Design of Proteins
David A. Agard, University of California, San Francisco
Conformational Dynamics, Structure and Mechanism of Hsp90 Chaperones
Andrew Hopkins, University of Dundee
Pharmacological Approaches to Biological Network Perturbation and Allosteric Modulation
Giorgio Colombo, Istituto di Chimica del Riconoscimento Molecolare
Short Talk: Modeling Signal Propagation Mechanisms and Ligand-Based Conformational Dynamics of the Hsp90 Molecular Chaperone Full Length Dimer
Saskia Neher, University of California at San Francisco
Short Talk: Signal Sequences Activate the Catalytic Switch of SRP RNA
7:15 - 8:15 PM Social Hour w/ Lite Bites Crestone Peak
7:30 - 10:00 PM Poster Session 3 Crestone Peak
Tuesday, June 9
7:00 - 8:00 AM Breakfast Crestone Peak
8:00 - 11:00 AM Novel Methods for Dynamics and Allostery Red Cloud Peak
* Patrick Loria, Yale University
G. Marius Clore, National Institute of Diabetes and Digestive and Kidney Diseases
Visualizing Transient Lowly-Populated Regions of the Free Energy Landscape of Macromolecules and their Complexes by Paramagnetic Relaxation Enhancement
Ruben Abagyan, The Scripps Research Institute
Induced Fit in Ligand Docking and Drug Discovery
Ad Bax, NIDDK, National Institutes of Health
Proteins, Lipids, and their Dynamic Interaction Viewed by NMR
Justin L. P. Benesch, University of Cambridge
Short Talk: Thermo-Dynamically Controlled Chaperone Function of the Small Heat Shock Proteins
Aron W. Fenton, University of Kansas Medical Center
Short Talk: Mapping Individual Residues within the N-Terminus that are Energetically Coupled to Allosteric and Active Site Functions of Human Liver Pyruvate Kinase
9:20 - 9:40 AM Coffee Break Shavano Peak Foyer
11:00 AM - On Own for Lunch
4:30 - 5:00 PM Coffee Available Shavano Peak Foyer
5:00 - 6:45 PM Novel Methods for Equilibrium Fluctuations Red Cloud Peak
* Ad Bax, NIDDK, National Institutes of Health
Elliot L. Elson, Washington University School of Medicine
Chemical Reaction Fluxes in Non-Equilibrium Steady State Systems
Patrice Vachette, IBBMC
Synchrotron SAXS Study of Quaternary Structure Equilibrium for Wild-Type and Mutant Forms of Allosteric Aspartate Transcarbamoylase
Brian M. Baker, University of Notre Dame
Short Talk: T Cell Receptor Cross-Reactivity Triggered by Peptide-Specific Conformational Dynamics in an Unligated Peptide/MHC Complex
6:45 - 7:15 PM Closing Remarks
Ivet Bahar, University of Pittsburgh
Lila M. Gierasch, University of Massachusetts Amherst
7:15 - 8:15 PM Social Hour w/ Lite Bites Crestone Peak
8:00 - 11:00 PM Entertainment Crestone Peak
Wednesday, June 10
Departure
*Session Chair   †Speaker invited, not yet responded.



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