Abstract

Research in this laboratory is centered around solution studies on the structure and dynamics of proteins, protein-protein complexes and protein-nucleic acid complexes using multidimensional NMR spectroscopy, and on the development and application of novel NMR and computational methods to aid in these studies. Over the last year we have developed methods for ensemble refinement against dipolar couplings, relaxation-derived order parameters, and X-ray scattering data to obtain a visual representation of fast motions in both proteins and nucleic acids. We have continued to develop software for the analysis of multidimensional NMR spectra of macromolecules for the purposes of both structure and dynamics, and we have continued to develop methods for completely automated assignment of NOE data and consequent 3D structure determination of proteins.

  Funding Agency

Agency
National Institute of Health (NIH)
Institute
National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK)
Type
Intramural Research (Z01)
Project #
1Z01DK029042-02
Application #
7734029
Study Section
Project Start
Project End
Budget Start
Budget End
Support Year
2
Fiscal Year
2008
Total Cost
$473,140
Indirect Cost

  Institution

Name
National Institute of Diabetes and Digestive and Kidney Diseases
Department
Type
DUNS #
City
State
Country
United States
Zip Code

  Publications

Clore, G Marius; Iwahara, Junji (2009) Theory, practice, and applications of paramagnetic relaxation enhancement for the characterization of transient low-population states of biological macromolecules and their complexes. Chem Rev 109:4108-39
Ryabov, Yaroslav; Suh, Jeong-Yong; Grishaev, Alexander et al. (2009) Using the experimentally determined components of the overall rotational diffusion tensor to restrain molecular shape and size in NMR structure determination of globular proteins and protein-protein complexes. J Am Chem Soc 131:9522-31
Schwieters, Charles D; Clore, G Marius (2008) A pseudopotential for improving the packing of ellipsoidal protein structures determined from NMR data. J Phys Chem B 112:6070-3
Kuszewski, John J; Thottungal, Robin Augustine; Clore, G Marius et al. (2008) Automated error-tolerant macromolecular structure determination from multidimensional nuclear Overhauser enhancement spectra and chemical shift assignments: improved robustness and performance of the PASD algorithm. J Biomol NMR 41:221-39
Tang, Chun; Schwieters, Charles D; Clore, G Marius (2007) Open-to-closed transition in apo maltose-binding protein observed by paramagnetic NMR. Nature 449:1078-82
Schwieters, Charles D; Clore, G Marius (2007) A physical picture of atomic motions within the Dickerson DNA dodecamer in solution derived from joint ensemble refinement against NMR and large-angle X-ray scattering data. Biochemistry 46:1152-66
Clore, G Marius; Schwieters, Charles D (2006) Concordance of residual dipolar couplings, backbone order parameters and crystallographic B-factors for a small alpha/beta protein: a unified picture of high probability, fast atomic motions in proteins. J Mol Biol 355:879-86