Research in this laboratory is centered around solution studies on the structure 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 several new multidimensional pulse sequences to derive assignments using direct-carbon detect methods; multidimensional sequences to detect arginine guanidino and lysine NH3 groups; new approaches to docking protein-protein complexes based on very sparse intermolecular NOE data; and we have solved the structures of several large protein-protein complexes, including a phosphoryl transfer complexes of enzymes IIAMannitol and IIBMannitol, and IIAmannose and IIBMannose from the bacterial phosphoryl transfer system and the complex of the barrier-to-autointegration factor with emerin.

Project Start
Project End
Budget Start
Budget End
Support Year
18
Fiscal Year
2008
Total Cost
$473,140
Indirect Cost
City
State
Country
United States
Zip Code
Venditti, Vincenzo; Ghirlando, Rodolfo; Clore, G Marius (2013) Structural basis for enzyme I inhibition by ?-ketoglutarate. ACS Chem Biol 8:1232-40
Grishaev, Alexander; Anthis, Nicholas J; Clore, G Marius (2012) Contrast-matched small-angle X-ray scattering from a heavy-atom-labeled protein in structure determination: application to a lead-substituted calmodulin-peptide complex. J Am Chem Soc 134:14686-9
Iwahara, Junji; Tang, Chun; Marius Clore, G (2007) Practical aspects of (1)H transverse paramagnetic relaxation enhancement measurements on macromolecules. J Magn Reson 184:185-95
Clore, G Marius; Tang, Chun; Iwahara, Junji (2007) Elucidating transient macromolecular interactions using paramagnetic relaxation enhancement. Curr Opin Struct Biol 17:603-16
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
Cai, Mengli; Huang, Ying; Suh, Jeong-Yong et al. (2007) Solution NMR structure of the barrier-to-autointegration factor-Emerin complex. J Biol Chem 282:14525-35
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
Hu, Kaifeng; Vogeli, Beat; Clore, G Marius (2007) Spin-state selective carbon-detected HNCO with TROSY optimization in all dimensions and double echo-antiecho sensitivity enhancement in both indirect dimensions. J Am Chem Soc 129:5484-91
Suh, Jeong-Yong; Iwahara, Junji; Clore, G Marius (2007) Intramolecular domain-domain association/dissociation and phosphoryl transfer in the mannitol transporter of Escherichia coli are not coupled. Proc Natl Acad Sci U S A 104:3153-8
Iwahara, Junji; Jung, Young-Sang; Clore, G Marius (2007) Heteronuclear NMR spectroscopy for lysine NH(3) groups in proteins: unique effect of water exchange on (15)N transverse relaxation. J Am Chem Soc 129:2971-80

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