All Publications

1. Moroney, J. V., Warncke, K., and McCarty, R. E. (1982) The distance between thiol groups in the gamma subunit of coupling factor 1 influences the proton permeability of thylakoid membranes, J. Bioenerg. Biomembr. 14, 347-359.

2. Ketcham, S. R., Davenport, J. W., Warncke, K., and McCarty, R. E. (1984) Role of the gamma subunit of chloroplast coupling factor 1 in the light-dependent activation of photophosphorylation and ATPase activity by dithiothreitol, J. Biol. Chem. 259, 7286-7293.

3. McCarty, R. E., Davenport, J. W., Ketcham, S. R., Moroney, J. V., Nalin, C. M., Patrie, W. J., and Warncke, K. (1984) Protons, thiols and coupling factor 1 in relation to photophosphorylation, Adv. Photosynth. Res. 2, 371-378.

4. Warncke, K., Gunner, M. R., Braun, B. S., Yu, C.-A., and Dutton, P. L. (1987) Hydrocarbon tail structure and its effect on the affinity and kinetic performance of quinones at the QA site in reaction centers of Rhodobactor sphaeroides R26, Prog. Photosynth. Res. 1, 225-227.

5. Moser, C. C., Keske, J. H., Warncke, K., and Dutton, P. L. (1990) Electron Transfer in Photosynthetic Reaction Centers, in Electron and Proton Transfer in Chemistry and Biology (Diemann, E., Junge, W., Mueller, A., and Ratajczak, Eds.), pp 198-207, Springer-Verlag, Berlin.

6. Warncke, K., and Dutton, P. L. (1990) Resolution of in situ interaction energies between molecules and the reaction center QA site: implications for electron transfer function, Curr. Res. Photosynth. 1, 157-160.

7. Warncke, K., and Dutton, P. L. (1990) Effect of cofactor structure on control of electron transfer rates at the QA site of the reaction center protein, in Structure and Function of Bacterial Reaction Centers (Michel-Beyerle, M. E., Ed.), Springer-Verlag, Berlin.

8. Warncke, K., Gunner, M. R., Giangiacomo, K. M., Keske, J. H., Bruce, J. M., and Dutton, P. L. (1990) Elements of quinone-mediated redox catalysis in the photosynthetic reaction center protein, in The Molecular Basis of Metabolism (Hauska, G., and Thauer, R., Eds.), pp 84-93, Springer-Verlag, Berlin.

9. Moser, C. C., Keske, J. M., Warncke, K., and Dutton, P. L. (1992) Electron transfer in photosynthetic reaction centers, Stud. Phys. Theor. Chem. 78, 111-125.

10. Moser, C. C., Keske, J. M., Warncke, K., Farid, R. S., and Dutton, P. L. (1992) Nature of biological electron transfer, Nature 355, 796-802.

11. Moser, C. C., Keske, J. M., Warncke, K., Farid, R. S., and Dutton, P. L. (1993) Electron-transfer mechanisms in reaction centers: engineering guidelines, in The Bacterial Photosynthetic Reaction Center: Structure, Spectroscopy and Dynamics (Norris, J. R., and Deisenhofer, J., Eds.), pp 1-22, Academic Press, New York.

12. Warncke, K., Brooks, H. B., Babcock, G. T., Davidson, V. L., and McCracken, J. (1993) The nitrogen atom of substrate methylamine is incorporated into the tryptophan tryptophyl-semiquinone catalytic intermediate in methylamine dehydrogenase, J. Am. Chem. Soc. 115, 6464-6465.

13. Warncke, K., and Dutton, P. L. (1993) Experimental resolution of the free energies of aqueous solvation contributions to ligand-protein binding: Quinone-QA site interactions in the photosynthetic reaction center protein, Proc. Natl. Acad. Sci. 90, 2920-2924.

14. Warncke, K., and Dutton, P. L. (1993) Influence of QA site redox cofactor structure on equilibrium binding, in situ electrochemistry, and electron-transfer performance in the photosynthetic reaction center protein, Biochemistry 32, 4769-4779.

15.Warncke, K., Babcock, G. T., Dooley, D. M., McGuirl, M. A., and McCracken, J. (1994) Structure of the Topa-semiquinone Catalytic Intermediate of Amine Oxidase as Revealed by Magnetic Interactions with Exchangeable 2H and 1H Nuclei, J. Am. Chem. Soc. 116, 4028-4037.

16. Warncke, K., Gunner, M. R., Braun, B. S., Gu, L., Yu, C.-A., Bruce, J. M., and Dutton, P. L. (1994) Influence of Hydrocarbon Tail Structure on Quinone Binding and Electron-Transfer Performance at the QA and QB Sites of the Photosynthetic Reaction Center Protein, Biochemistry 33, 7830-7841.

17. Warncke, K., and McCracken, J. (1994) 2H electron spin echo envelope modulation spectroscopy of strong, a-hydrogen hyperfine coupling in randomly oriented paramagnetic systems, J. Chem. Phys. 101, 1832-1841.

18. Warncke, K., McCracken, J., and Babcock, G. T. (1994) Structure of the YD Tyrosine Radical in Photosystem II as Revealed by 2H Electron Spin Echo Envelope Modulation (ESEEM) Spectroscopic Analysis of Hydrogen Hyperfine Interactions, J. Am. Chem. Soc. 116, 7332-7340.

19. Hoganson, C. W., Lydakis-Simantiris, N., Tang, X.-S., Tommos, C., Warncke, K., Babcock, G. T., Diner, B. A., McCracken, J., and Styring, S. (1995) A hydrogen-atom abstraction model for the function of Yz in photosynthetic oxygen evolution, Photosyn. Res. 46, 177-184.

20. Tommos, C., Tang, X.-S., Warncke, K., Hoganson, C. W., Styring, S., McCracken, J., Diner, B. A., and Babcock, G. T. (1995) Spin-Density Distribution, Conformation, and Hydrogen Bonding of the Redox-Active Tyrosine YZ in Photosystem II from Multiple-Electron Magnetic-Resonance Spectroscopies: Implications for Photosynthetic Oxygen Evolution, J. Am. Chem. Soc. 117, 10325-10335.

21. Warncke, K., Brooks, H. B., Lee, H.-i., McCracken, J., Davidson, V. L., and Babcock, G. T. (1995) Structure of the Dithionite-Generated Tryptophan Tryptophyloquinone Cofactor Radical in Methylamine Dehydrogenase Revealed by ENDOR and ESEEM Spectroscopies, J. Am. Chem. Soc. 117, 10063-10075.

22. Warncke, K., and McCracken, J. (1995) Analysis of static distributions in hydrogen hyperfine interactions in randomly oriented radicals in the solid state by using 2H electron spin echo envelope modulation spectroscopy: conformational dispersion of b-2H coupling in the model tyrosyl radical, J. Chem. Phys. 103, 6829-6840.

23. Warncke, K., Tang, X.-S., Tommos, C., Babcock, G. T., Diner, B. A., and McCracken, J. (1995) Static side chain conformational distribution in the YZ tyrosine radical in manganese-depleted, YD- photosystem II, Photosynthesis: From Light to Biosphere, Proceedings of the International Photosynthesis Congress, 10th, Montpellier, Fr., Aug. 20-25, 1995 1, 711-714.

24. Warncke, K., Babcock, G. T., and McCracken, J. (1996) Static Conformational Distributions in the Solid State: Analysis and Application to Angular Dispersion in Side Chain Orientations in Model Tyrosine in Aqueous Glass, J. PHys. Chem. 100, 4654-4661.

25. Babcock, G. T., Espe, M., Hoganson, C., Lydakis-Simantiris, N., McCracken, J., Shi, W., Styring, S., Tommos, C., and Warncke, K. (1997) Tyrosyl radicals in enzyme catalysis: some properties and a focus on photosynthetic water oxidation, Acta Chemica Scandinavica 51, 533-540.

26. Ke, S.-C., Torrent, M., Museav, D. G., Morokuma, K., and Warncke, K. (1999) Identification of Dimethylbenzimidazole Axial Coordination and Characterization of 14N Superhyperfine and Nuclear Quadrupole Coupling in Cob(II)alamin Bound to Ethanolamine Deaminase in a Catalytically-Engaged Substrate Radical-Cobalt(II) Biradical State, Biochemistry 38, 12681-12689. Link

27. Ke, S.-C., and Warncke, K. (1999) Interactions of substrate and product radicals with CoII in cobalamin and with the active site in ethanolamine deaminase, characterized by ESE-EPR and 14N ESEEM spectroscopies, J. Am. Chem. Soc. 121, 9922-9927. Link

28. Torrent, M., Musaev, D. G., Morokuma, K., Ke, S.-C., and Warncke, K. (1999) Calculation of Nuclear Quadrupole Parameters in Imidazole Derivatives and Extrapolation to Coenzyme B12. A Theoretical Study, J. Phys. Chem. B 103, 8618-8627.Link

29. Warncke, K., Schmidt, J. C., and Ke, S.-C. (1999) Identification of a Rearranged-Substrate, Product Radical Intermediate and the Contribution of a Product Radical Trap in Vitamin B12 Coenzyme-Dependent Ethanolamine Deaminase Catalysis, J. Am. Chem. Soc. 121, 10522-10528.Link

30. Trommel, J. S., Warncke, K., and Marzilli, L. G. (2001) Assessment of the Existence of Hyper-Long Axial Co(II)-N Bonds in Cobinamide B12 Models by Using Electron Paramagnetic Resonance Spectroscopy, J. Am. Chem. Soc. 123, 3358-3366.Link

31. Warncke, K., and Perry, M. S. (2001) Redox State Dependence of Rotamer Distributions in Tyrosine and Neutral Tyrosyl Radical, Biochim. Biophys. Acta 1545, 1-5.Link

32. Warncke, K., and Utada, A. S. (2001) Interaction of the Substrate Radical and the 5'-Deoxyadenosine-5'-Methyl Group in Vitamin B12 Coenzyme-Dependent Ethanolamine Deaminase, J. Am. Chem. Soc. 123, 8564-8572.Link

33. Canfield, J. M., and Warncke, K. (2002) Geometry of Reactant Centers in the CoII-Substrate Radical Pair State of Coenzyme B12-Dependent Ethanolamine Deaminase Determined by using Orientation-Selection-ESEEM Spectroscopy, J. Phys. Chem. B 106, 8831-8841.Link

34. Khoroshun, D. V., Warncke, K., Ke, S.-C., Musaev, D. G., and Morokuma, K. (2003) Internal Degrees of Freedom, Structural Motifs and Conformational Energetics of 5'-Deoxyadenosyl Radical: Implications for Function in Adenosylcobalamin-Dependent Enzymes.? A Computational Study, J. Am. Chem. Soc. 125, 570-579.Link

35. Warncke, K., and Canfield, J. M. (2004) Direct Determination of Product Radical Structure Reveals the Radical Rearrangement Pathway in a Coenzyme B12-Dependent Enzyme, J. Am. Chem. Soc. 126, 5930-5931.Link

36. Canfield, J. M., and Warncke, K. (2005) Active Site Reactant Center Geometry in the CoII-Product Radical Pair State of Coenzyme B12-Dependent Ethanolamine Deaminase Determined by Using Orientation-Selection-ESEEM Spectroscopy, J. Phys. Chem. B 109, 3053-3064.Link

37. Warncke, K. (2005) Characterization of the Product Radical Structure in the CoII-Product Radical Pair State of Coenzyme B12-Dependent Ethanolamine Deaminase by using Three-Pulse 2H ESEEM Spectroscopy, Biochemistry 44, 3184-3193.Link

38. Sun, L., and Warncke, K. (2006) Comparative model of EutB from coenzyme B12-dependent ethanolamine ammonia-lyase reveals a b8a8, TIM-barrel fold and radical catalytic site structural features, Proteins 64, 308-319.Link

39. Dong, J., Canfield, J. M., Mehta, A. K., Shokes, J. E., Tian, B., Childers, W. S., Simmons, J. A., Mao, Z., Scott, R. A., Warncke, K., and Lynn, D. G. (2007) Engineering metal ion coordination to regulate amyloid fibril assembly and toxicity, Proc. Natl. Acad. Sci. 104, 13313-13381.Link

40. Sun, L., Groover, O. A., Canfield, J. M., and Warncke, K. (2008) Critical role of arginine 160 of the EutB protein subunit for active site structure and radical catalysis in coenzyme B12-dependent ethanolamine ammonia-lyase, Biochemistry 47, 5523-5535.Link

41. Wang, M., and Warncke, K. (2008) Kinetic and Thermodynamic Characterization of CoII-Substrate Radical Pair Formation in Coenzyme B12-Dependent Ethanolamine Ammonia-Lyase in a Cryosolvent System by using Time-Resolved, Full-Spectrum Continuous-Wave Electron Paramagnetic Resonance Spectroscopy, J. Am. Chem. Soc. 130, 4846-4858.Link

42. Zhu, C., and Warncke, K. (2008) Reaction of the CoII-Substrate Radical Pair Catalytic Intermediate in Coenzyme B12-Dependent Ethanolamine Ammonia-Lyase in Frozen Aqueous Solution from 190 to 217 Kelvin, Biophys. J. 95, 5890-5900.Link

43. Robertson, W. D., and Warncke, K. (2009) Photolysis of Adenosylcobalamin and Radical Pair Recombination in Ethanolamine Ammonia-Lyase Probed on the Micro- to Millisecond Time Scale by using Time-Resolved Optical Absorption Spectroscopy, Biochemistry 48, 140-147.Link

44. Sun, L., Hernandez-Guzman, J., and Warncke, K. (2009) OPTESIM, a versatile toolbox for numerical simulation of electron spin echo envelope modulation (ESEEM) that features hybrid optimization and statistical assessment of parameters, J. Magn. Reson.200, 21-28. (Cover Article) Link

45. Zhu, C., and Warncke, K. (2010) Kinetic Isolation and Characterization of the Radical Rearrangement Step in Coenzyme B12-Dependent Ethanolamine Ammonia-Lyase, J. Am. Chem. Soc. 132, 9610-9615. Link

46. Robertson, W. D., Wang, M., and Warncke, K. (2011) Characterization of Protein Contributions to Cobalt-Carbon Bond Cleavage Catalysis in Adenosylcobalamin-Dependent Ethanolamine Ammonia-Lyase by using Photolysis in the Ternary Complex, J. Am. Chem. Soc. 133, 6968-6977. Link

47. Gunderson, W. A., Hernandez-Guzman, J., Karr, J. W., Sun, L., Szalai, V. A., and Warncke, K. (2012) Local structure and global patterning of Cu2+ binding in fibrillar amyloid-b protein, J. Am. Chem. Soc. 134, 18330-18337. Link

48. Bovell, A. M., and Warncke, K. (2013) Structure model of Salmonella typhimurium ethanolamine ammonia-lyase directs a rational approach to the assembly of the functional [(EutB-EutC)2]3 oligomer from isolated subunits, Biochemistry 52, 1419-1428. Link

49. Chen, H., Sun, L., and Warncke, K. (2013) Heterogeneous ordered-disordered structure of the mesodomain in frozen sucrose-water solutions revealed by multiple electron paramagnetic resonance spectroscopies, Langmuir Article ASAP. Link

50. Robertson, W. D., Bovell, A. M., and Warncke, K. (2013) Development of a protein-integrated, cobalt-corrin catalyst for hydrogen production under green conditions, J. Biol. Inorg. Chem. 18, 701-713. Link

51. Sun, L., Savory, J. J., and Warncke, K. (2013) Design and implementation of an FPGA-based timing pulse programmer for pulsed-electron paramagnetic resonance applications, Concept Magnetic Res. B: Magn. Reson. Engineering 43, 100-109. Link

52. Hernandez-Guzman, J., Sun, L., Mehta, A. K., Dong, J., Lynn, D. G., and Warncke, K. (2013) Copper(II)-bis-histidine coordination structure in a fibrillar amyloid-b peptide fragment and model complexes revealed by using electron spin echo envelope modulation spectroscopy, ChemBioChem 14, 1762-1771. Link

53. Wang, M., and Warncke, K. (2013) Entropic origin of cobalt-carbon bond cleavage catalysis in adenosylcobalamin-dependent ethanolamine ammonia-lyase, J. Am. Chem. Soc. 135, 15077-15084. Link