All Publications

Publications since joining Emory

(33) Chioti, V. T.; McWhorter, K. L; Blue, T. C.; Li, Y.; Xu, F.; Jeffrey, P. D.; Davis, K. M.*; Seyedsayamdost, M. R.* Potent and Specific Antibiotic Combination Therapy Against Clostridioides difficile. Nature Chem. Biol. (accepted).

(32) Maximova, O.; Allen, W.; Yee, G.; Israel, C.; Leshchev, D.; Stavitski, E.; Ding, Y.; Davis, K. M.; Wessells, C.; Friebel, D.; Pushkar, Y. Spectroscopic characterization of Mn1+ low oxidation state in Prussian Blue based battery anodes. J. Phys. Chem. Lett. 2024, 15, 1521–1528.

(31) Ireland, K. A.; Kayrouz, C. M.; Huang, J.; Seyedsayamdost, M. R.; Davis, K. M.* Structural Characterization and Ligand-Induced Conformational Changes of SenB, a Se- Glycosyltransferase Involved in Selenoneine Biosynthesis. Biochemistry. 2023, 62, 3337-3342.

(30) Dratch, B. D.; McWhorter, K. L.; Blue T. C.; Jones, S. K.; Horwitz, S. M.; Davis, K. M.* Insights into substrate recognition by the unusual nitrating enzyme RufO. ACS Chem. Biol. 2023, 18, 1713-1718.

(29) Hauser, N.; Ireland, K. A.; Chioti, V.; Davis, K. M.*; Seyedsayamdost, M. R.* Robust Chemoenzymatic Synthesis of the Keratinimicin Aglycone Facilitated by the Structure and Selectivity of OxyB. ACS Chem. Biol. 2023, 18, 1472-1479.

(28) Emamian, S.; Ireland, K. A.; Purohit, V.; McWhorter, K. L.; Maximova, O.; Allen, W.; Jensen, S.; Casa, D. M.; Pushkar, Y.*; Davis, K. M.* X-ray Emission Spectroscopy of Single Protein Crystals Yields Insights into Heme Enzyme Intermediates. J. Phys. Chem. Lett. 2023, 14, 41-48.

(27) Braffman, N. R.; Ruskoski, T. B.; Davis, K. M.; Glasser, N.; Johnson, C.; Okafor, C. D.; Boal, A. K.; Balskus, E. P.  Structural Basis for an Unprecedented Enzymatic Alkylation in Cylindrocyclophane Biosynthesis. eLife. 2022, 11:e75761.

(26) Horwitz, S. M.; Blue, T. C.; Ambarian, J. A.; Hoshino, S.; Seyedsayamdost, M. R.; Davis, K. M.* Structural Insights into Inhibition of the Drug Target Dihydroorotate Dehydrogenase by Bacterial Hydroxyalkylquinolines. RSC Chem. Biol. 2022, 3, 420-425 .

(25) Lau, S. H.; Chen, L.; Kevlishvili, I.; Davis, K. M.; Liu, P.; Carrow, B. Capturing the Most Active State of a Palladium(0) Cross-Coupling Catalyst. ChemRxiv. 2021.

(24) Chioti, V.; McWhorter, K. L.; Xu, F.; Jeffrey, P. D.; Davis, K. M.*; Seyedsayamdost, M. R.* Structural and Functional Analysis of Keratinicyclin Reveals Synergistic Antibiosis with Vancomycin Against Clostridium Difficile. ChemRxiv. 2021.

(23) Blue, T. C. & Davis, K. M.* Computational Approaches: An Underutilized Tool in the Quest to Elucidate Radical SAM Dynamics. Molecules. 2021, 26, 2590.

(22) Copeland, R. A.; Davis, K. M.; Shoda, T. K. C.; Blaesi, E. J.; Boal, A. K.; Krebs, C.; Bollinger, Jr., J. M. An Iron(IV)-oxo Intermediate Initiating L-Arginine Oxidation but not Ethylene Production by the 2- Oxoglutarate-Dependent Ethylene-Forming Enzyme (EFE). J. Am. Chem. Soc. 2021, 143, 2293–2303.

(21) Gallant, E.; Li, A.; Davis, K. M.; Seyedsayamdost, M. R. Burkholderia-derived natural products: From discovery to target identification toward chemical ecology. Invited Book Chapter Submission: “Comprehensive Natural Products III” Edited by Tadhg Begley and Ben Liu. Elsevier, pg. 121–141 (2020).

(20) Seyedsayamdost, M. R.; Caruso, A.; Davis, K. M. rSAM RiPPs: An Emerging Subfamily of Radical SAM Enzymes that Modify Ribosomal Peptide Natural Products. Invited Book Chapter Submission: “Comprehensive Natural Products III” Edited by Tadhg Begley and Ben Liu. Elsevier, pg. 49–64 (2020).


Prior Publications


(19) Zhou, S.; Pan, J.; Davis, K. M.; Schaperdoth, I.; Boal, A. K.; Krebs, C.; Bollinger, Jr., J. M. Steric enforcement of cis-epoxide formation in the radical C–O-coupling reaction by which (S)-2-hydroxypropylphosphonate epoxidase (HppE) produces Fosfomycin. J. Am. Chem. Soc. 2019, 141, 20397-20406.

(18) Davis K. M.; Altmyer M.; Martinie, R. J.; Schaperdoth, I.; Krebs, C.; Bollinger Jr., M. J.; Boal, A. K. X-ray crystal structures of a ferryl mimic in the archetypal iron(II)- and 2-(oxo)-glutarate-dependent enzyme TauD. Biochemistry. 2019, 58, 4218-4223.

(17) Nelp, M. T.; Zhang, V.; Davis, K. M.; Stiefel, K.; Groves, J. T. Potent Activation of Indoleamine 2,3-Dioxygenase by Polysulfides Inspires a Selective Catalytic Agonist. J. Am. Chem. Soc. 2019, 141, 15288-15300.

(16) Rose, H. R.; Maggiolo, A. O.; Mcbride, M.; Palowitch, G.; Pandelia, M.-R.; Davis, K. M.; Yennawar, N. H.; Boal, A. K. X-ray crystal structure of a class Id ribonucleotide reductase alpha subunit reveals a minimal architecture for aerobic deoxynucleotide production. Biochemistry. 2019, 58, 1845-1860.

(15) Xu, F.; Wu, Y.; Zhang, C.; Davis, K. M.; Moon K.; Bushin, L. B.; Seyedsayamdost, M. R. Replacing Genetics with Imaging Mass Spectrometry: A General Method for High-Throughput Discovery of Microbial Cryptic Metabolites. Nat. Chem. Biol. 2019, 15, 161-168.

(14) Davis, K. M.; Sullivan, B.T.; Palenik, M. C.; Purohit, V.; Yan, L.; Robison G.; Kosheleva, I.; Henning R. W.; Seidler, G. T.; Pushkar, Y. N. Rapid Evolution of the Photosystem II Electronic Structure During Water Splitting. Phys. Rev. X 2018, 8, 041014.

Highlighted in “Pinning down the Chemistry of Photosynthetic Water Splitting.” (APS Physics – October  23, 2018)

(13) Pushkar, Y.; Davis, K. M.; Palenik, M. C. Model of the Oxygen Evolving Complex Which is Highly Predisposed to O–O Bond Formation. J. Phys. Chem. Lett. 2018, 9, 3525-3531.

(12) Davis, K. M.; Schramma, K. R.; Hansen, W. A.; Bacik, J. P.; Khare, S. D.; Seyedsayamdost, M. R.; Ando, N. Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition, Proc. Natl. Acad. Sci. USA. 2017, 114, 10420-10425.

(11) Davis, K. M. & Boal, A. K. Chapter Eleven – Mechanism-Based Strategies for Structural Characterization of Radical SAM Reaction Intermediates, In Methods Enzymol. (David, S. S., Ed.), 2017, pp 331-359, Academic Press.

(10) Jensen, S. C.; Davis, K. M.; Sullivan, B.; Hartzler, D. A.; Seidler, G. T.; Casa, D. M.; Kasman, E.; Colmer, H. E.; Massie, A. A.; Jackson, T. A.; Pushkar, Y. X-ray Emission Spectroscopy of Biomimetic Mn Coordination Complexes. J. Phys. Chem. Lett. 2017, 8, 2584-2589.

(9) Sullivan, B.; Robison, G.; Osborn, J.; Kay, M.; Thompson, P.; Davis, K. M.; Zakharova, T.; Antipova, O.; Pushkar, Y. On the nature of the Cu-rich aggregates in brain astrocytes. Redox Biol. 2017, 11, 231-239.

(8) Rustiguel, J. K.; Soares, R. O. S.; Meisburger, S. P.; Davis, K. M.; Malzbender, K. L.; Ando, N.; Dias-Baruffi, M,; Nonato, M. C. Full-length model of the human galectin-4 and insights into dynamics of inter-domain communication. Sci.  Rep. 2016, 6, 33633.

(7) Davis, K. M.; Palenik, M.; Yan, L.; Smith, P. F.; Seidler, G. T.; Dismukes, G. C.; Pushkar, Y. N. X-ray Emission Spectroscopy of Mn Coordination Complexes Toward Interpreting the Electronic Structure of the Oxygen-Evolving Complex of Photosystem II. J. Phys. Chem. C 2016, 120, 3326-3333.

(6) Davis, K. M. & Pushkar, Y. Structure of the Oxygen Evolving Complex of Photosystem II at Room Temperature. J. Phys. Chem. B. 2015, 119, 3492-3498.

(5) Kupitz, C.; Basu, S.; Grotjohann, I.; Fromme, R.;…Davis, K. M. et al. Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser. Nature. 2014, 513, 261-265.

Highlighted in “Researchers Capture Images of Photosynthesis in Action.” (Nature World News – July 10, 2014)

Highlighted in “Scientists Capture Snapshots of Water Splitting in Photosynthesis for the First Time Ever.” (Science World Report – July 10, 2014)

(4) Davis, K. M.; Kosheleva, I.; Henning, R. W.; Seidler, G. T.; Pushkar, Y. Kinetic Modeling of the X-Ray-Induced Damage to a Metalloprotein. J. Phys. Chem. B 2013, 117, 9161-9169.

(3) Chen, J.; Lee, Y.-M.; Davis, K. M.; Wu, X.; Seo, M. S.; Cho, K.-B.; Yoon, H.; Park, Y. J.; Fukuzumi, S.; Pushkar, Y. N.; Nam, W. A Mononuclear Non-Heme Manganese(IV)–Oxo Complex Binding Redox-Inactive Metal Ions. J. Am. Chem. Soc. 2013.

Highlighted in “Metal model mimics metalloenzymes.” ( – August 12, 2013)

(2) Davis, K. M.; Mattern, B. A.; Pacold, J. I.; Zakharova, T.; Brewe, D.; Kosheleva, I.; Henning, R. W.; Graber, T. J.; Heald, S. M.; Seidler, G. T.; Pushkar, Y. Fast Detection Allowing Analysis of Metalloprotein Electronic Structure by X-ray Emission Spectroscopy at Room Temperature. J. Phys. Chem. Lett. 2012, 3, 1858.

(1) Wu, X.; Seo, M. S.; Davis, K. M.; Lee, Y.-M.; Chen, J.; Cho, K.-B.; Pushkar, Y.; Nam, W. A Highly Reactive Mononuclear Non-Heme Manganese(IV)-Oxo Complex That Can Activate the Strong C-H Bonds of Alkanes. J. Am. Chem. Soc. 2011, 133, 20088.