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 novel hybrid methods combining NMR and solution scattering to solve the structures of proteins and proetin complexes in excess of 100 kDa. Structures that have been solved this year include the 128 kDa enzyme I and its 146 kDa complex with HPr from the bacterial phosphotransferase system (PTS), and the complex of IIAchitobiose with IIBchitobiose, also from the PTS. In addition, we have devoted significant efforts towards detecting, characterizing and visualizing highly transient, lowly-populated states that are invisible to conventional biophysical and structural techniques, yet play a key role in numerous biological processes including recognition, allostery, signal transduction, etc.... by means of paramagnetic relaxation enhancement (PRE) and novel relaxation methods. Using these approaches we have been able to characterize sliding and hopping of a multidomain transcription factor on NDA, to characteristics the mechanistic details involving encounter complex formation in protein-protein interactions, and to study the exchange between monomeric and protofibril forms of amyloid Abeta.

Project Start
Project End
Budget Start
Budget End
Support Year
Fiscal Year
Total Cost
Indirect Cost
Zip Code
Clore, G Marius (2014) Interplay between conformational selection and induced fit in multidomain protein-ligand binding probed by paramagnetic relaxation enhancement. Biophys Chem 186:3-12
Deshmukh, Lalit; Ghirlando, Rodolfo; Clore, G Marius (2014) Investigation of the structure and dynamics of the capsid-spacer peptide 1-nucleocapsid fragment of the HIV-1 gag polyprotein by solution NMR spectroscopy. Angew Chem Int Ed Engl 53:1025-8
Kozakov, Dima; Li, Keyong; Hall, David R et al. (2014) Encounter complexes and dimensionality reduction in protein-protein association. Elife 3:e01370
Schwieters, Charles D; Clore, G Marius (2014) Using small angle solution scattering data in Xplor-NIH structure calculations. Prog Nucl Magn Reson Spectrosc 80:1-11
Tugarinov, Vitali; Venditti, Vincenzo; Marius Clore, G (2014) A NMR experiment for simultaneous correlations of valine and leucine/isoleucine methyls with carbonyl chemical shifts in proteins. J Biomol NMR 58:1-8
Anthis, Nicholas J; Clore, G Marius (2013) The length of the calmodulin linker determines the extent of transient interdomain association and target affinity. J Am Chem Soc 135:9648-51
Clore, G Marius (2013) Generating accurate contact maps of transient long-range interactions in intrinsically disordered proteins by paramagnetic relaxation enhancement. Biophys J 104:1635-6
Libich, David S; Fawzi, Nicolas L; Ying, Jinfa et al. (2013) Probing the transient dark state of substrate binding to GroEL by relaxation-based solution NMR. Proc Natl Acad Sci U S A 110:11361-6
Anthis, Nicholas J; Clore, G Marius (2013) Sequence-specific determination of protein and peptide concentrations by absorbance at 205 nm. Protein Sci 22:851-8
Hu, Kaifeng; Doucleff, Michaeleen; Clore, G Marius (2009) Using multiple quantum coherence to increase the 15N resolution in a three-dimensional TROSY HNCO experiment for accurate PRE and RDC measurements. J Magn Reson 200:173-7

Showing the most recent 10 out of 19 publications