Recent publications resulting from research at BrUNMR:

2005:

"Detection of a high-barrier conformational change in the active site of cytochrome P450(cam) upon binding of putidaredoxin"   (J. Y. Wei, T. C. Pochapsky and S. S. Pochapsky ) J. Am. Chem. Soc. 127, 6974-6976 (2005).

"Enzyme dynamics during catalysis measured by NMR spectroscopy"   (D. Kern, E. Z. Eisenmesser and M. Wolf-Watz) Methods Enzymol. 394, 507-524 (2005).

2004:

"Letter to the Editor: H-1, C-13 and N-15 chemical shift assignments of an enolase-phosphatase, E1 from Klebsiella oxytoca"   ( M. Kostic and T. C. Pochapsky) J. Biomol. NMR 30, 359-360 (2004).

"Phospholipid bilayer surface configuration probed quantitatively by P-31 field cycling NMR"   (M. F. Roberts and A. G. Redfield) Proc. Natl. Acad. Sci. 101, 17066-17071 (2004).

"High-resolution P-31 field cycling NMR as a probe of phospholipid dynamics"   (M. F. Roberts and A. G. Redfield) J. Am. Chem. Soc. 126, 13765-13777 (2004).

"High-resolution field-cycling NMR studies of a DNA octamer as a probe of phosphodiester dynamics and comparison with computer simulation"   (M. F. Roberts, Q. Z. Cui, C. J. Turner, D. A. Case and A. G. Redfield) Biochemistry 43, 3637-3650 (2004).

"Field-cycling method with central transition readout for pure quadrupole resonance detection in dilute systems"   ( D. Ivanov and A. G. Redfield) J. Magn. Reson. 166, 19-27 (2004).

"Catalysis and binding of cyclophilin a with different HIV-1 capsid constructs"   (D. A. Bosco and D. Kern) Biochemistry 43, 6110-6119 (2004).

2003:

"Structure and dynamics of paramagnetic proteins by NMR"   ( M. Kostic and T. C. Pochapsky) ACS Symposium Series 858, 214- (2003).

"A conserved histidine in vertebrate-type ferredoxins is critical for redox-dependent dynamics"   ( M. Kostic, R. Bernhardt and T. C. Pochapsky) Biochemistry 42, 8171-8182 (2003).

"A model for effector activity in a highly specific biological electron transfer complex: The cytochrome P450(cam)-putidaredoxin couple"   ( S. S. Pochapsky, J. Wei and T. C. Pochapsky) Biochemistry 42, 5649-5656 (2003).

"Shuttling device for high-resolution measurements of relaxation and related phenomena in solution at low field, using a shared commercial 500 MHz NMR instrument"   ( A. G. Redfield) Magn. Reson. Chem. 41, 753-768 (2003).

2002:

"Modeling and experiment yields the structure of acireductone dioxygenase from Klebsiella pneumoniae"   (T. C. Pochapsky, S. S. Pochapsky, T. T. Ju, H. P. Mo, F. Al-Mjeni and M. J. Maroney) Nat. Struc. Biol. 9, 966-972 (2002).

"Rapid Recycle 13C, 15N and 13C, 13C' Heteronuclear and Homonuclear Multiple Quantum Coherence Detection for Resonance Assignments in Paramagnetic Proteins: Example of Ni+2-Containing Acireductone Dioxygenase (ARD)"   (M. Kostic, S. S. Pochapsky and T. C. Pochapsky ), J. Am. Chem. Soc. 124, 9054-9055 (2002).

"Comparison of functional domains in vertebrate-type ferredoxins"   (M. Kostic, S. S. Pochapsky, J. Obenauer, H. Mo, G. M. Pagani, R. Pejchal, and T. C. Pochapsky) Biochemistry 41, 5978-5989 (2002).

"Catalysis of cis/trans isomerization in native HIV-1 capsid by human cyclophilin A"   (D. A. Bosco, E. Z. Eisenmesser, S. S. Pochapsky, W. I. Sundquist and D. Kern) Proc. Natl. Acad. Sci. 99, 5247-5252 (2002).

"Enzyme dynamics during catalysis"   (E. Z. Eisenmesser, D. A. Bosco, M. Akke and D. Kern) Science 295, 1520-1523 (2002).

2001:

"Nuclear magnetic resonance as a tool in drug discovery, metabolism and disposition"   (T. C. Pochapsky and S. S. Pochapsky) Curr. Top. Med. Chem. 1, 427-441 (2001).

"Redox-dependent conformational selection in a Cys4Fe2S2 ferredoxin"   (T. C. Pochapsky, M. Kostic, N. Jain and R. Pejchal) Biochemistry 19, 5602-5614 (2001).

2000:

"BF4- as a probe for ion pair solution structure using interionic one- and two-dimensional 19F{1H} NOEs"   (C. Hofstetter and T. C. Pochapsky) Magn. Reson. Chem. 38, 90-94 (2000).

Prior to 2000:

"NMR structure determination of ion pairs derived from quinine: A model for templating in asymmetric phase transfer reductions by BH4- with implications for rational design of phase transfer catalysts" (C. Hofstetter , P. S. Wilkinson and T. C. Pochapsky) J. Org. Chem.64, 8794-8800 (1999).

"Solution structure and dynamics of a serpin reactive site loop using interleukin 1b as a presentation scaffold" (C. C. Arico-Muendel, A. Patera, M. Kuti, T. C. Pochapsky and A. J. Wolfson) Protein Engineering 12, 189-202 (1999).

"A model for the solution structure of oxidized terpredoxin, a Fe2S2 ferredoxin from Pseudomonas" (H. Mo, S. S. Pochapsky and T. C. Pochapsky), Biochemistry38, 5666-5676 (1999).

"A refined model for the solution structure of oxidized putidaredoxin" (T. C. Pochapsky, N. U. Jain, M. Kuti, T. A. Lyons and J. Heymont) Biochemistry 38, 4681-4690 (1999).

"A new assignment strategy for the hyperfine shifted 13C and 15N resonances in Fe2S2 ferredoxins" (N. U. Jain and T. C. Pochapsky), Biochem. Biophys. Res. Commun. 258, 54-59 (1999).

"1H, 13C and 15N assignments for a carbon monoxide generating metalloenzyme from Klebsiella pneumoniae" (H. Mo, Y. Dai, S. S. Pochapsky and T. C. Pochapsky) J. Biomol. NMR 14, 287-288 (1999).

"The solution structure of a gallium-substituted putidaredoxin mutant: GaPdx C85S" (T. C. Pochapsky, M. Kuti and S. Kazanis) J. Biomol. NMR 12, 407-415 (1998).

"Redox dependence of hyperfine-shifted 13C and 15N resonances in putidaredoxin" (Nitin U. Jain and T. C. Pochapsky) J. Am. Chem. Soc120, 12984-12985 (1998).

"Intermolecular Interactions Characterized by Nuclear Overhauser Effects", (H. Mo and T.C. Pochapsky), Progress in Nuclear Magnetic Resonance Spectroscopy30, 1-38 (1997).

"Closed-shell ion pairs: Cation and aggregate dynamics of tetraalkylammonium salt in an ion-pairing solvent" (H. Mo, T.C. Pochapsky, A. Wang and P. Stone Wilkinson), J. Am. Chem. Soc. 119, 11666-11673 (1997).

"Self-diffusion coefficients of paired ions", (H. Mo and T. C. Pochapsky), J. Phys. Chem. B. 101, 4855-4486 (1997).

"A structure-based model for cytochrome P450cam-putidaredoxin interactions", (with T. A. Lyons, S. Kazanis, T. Arakaki and G. Ratnaswamy), Biochimie78, 723-733 (1996).