Publications

Montermoso, S., Eilers, G., Allen, A., Sharp, R., Hwang, Y., Bushman, F. D., Gupta, K., and Van Duyne, G. (2025) Structural Impact of Ex Vivo Resistance Mutations on HIV-1 Integrase Polymers Induced by Allosteric Inhibitors. J Mol Biol. 437, 169224
Kubeš, J., Karabanovich, G., Cong, A. T. Q., Melnikova, I., Lenčová, O., Kollárová, P., Piskáčková, H. Bavlovič, Keresteš, V., Applová, L., Arrouye, L. C. M., Alvey, J. R., Paluncic, J., Witter, T. L., Jirkovská, A., Kuneš, J., Štěrbová-Kovaříková, P., Austin, C. A., Štěrba, M., Šimůnek, T., Roh, J., and Schellenberg, M. J. (2025) Topobexin targets the Topoisomerase II ATPase domain for beta isoform-selective inhibition and anthracycline cardioprotection. Nat Commun. 16, 4928
Alexander, P., Chan, A. H., Rabara, D., Swain, M., Larsen, E. K., Dyba, M., Chertov, O., Ashraf, M., Champagne, A., Lin, K., Maciag, A., Gillette, W. K., Nissley, D. V., McCormick, F., Simanshu, D. K., and Stephen, A. G. (2025) Biophysical and structural analysis of KRAS switch-II pocket inhibitors reveals allele-specific binding constraints. J Biol Chem. 10.1016/j.jbc.2025.110331
Trasviña-Arenas, C. H., Dissanayake, U. C., Tamayo, N., Hashemian, M., Lin, W. - J., Demir, M., Hoyos-Gonzalez, N., Fisher, A. J., G Cisneros, A., Horvath, M. P., and David, S. S. (2025) Structure of human MUTYH and functional profiling of cancer-associated variants reveal an allosteric network between its [4Fe-4S] cluster cofactor and active site required for DNA repair. Nat Commun. 16, 3596
DeWeese, D. E., Everett, M. P., Babicz, J. T., Daruwalla, A., Solomon, E. I., and Kiser, P. D. (2025) Spectroscopy and crystallography define carotenoid oxygenases as a new subclass of mononuclear non-heme Fe enzymes. J Biol Chem. 301, 108444
Hazari, A., Sawaya, M. R., Lee, H., Sajimon, M., Kim, H., Iii, W. A. Goddard, Eisenberg, D., and Raskatov, J. A. (2025) Formation of rippled β-sheets from mixed chirality linear and cyclic peptides-new structural motifs based on the pauling-corey rippled β-sheet.. Chem Sci. 16, 5907-5917
Pistofidis, A., and T Schmeing, M. (2025) Protein ligation for the assembly and study of nonribosomal peptide synthetase megaenzymes. RSC Chem Biol. 10.1039/d4cb00306c
Maurer, D. P., Vu, M., and Schmidt, A. G. (2025) Antigenic drift expands influenza viral escape pathways from recalled humoral immunity. Immunity. 58, 716-727.e6
Wieteska, Ł., Taylor, A. B., Punch, E., Coleman, J. A., Conway, I. O., Lin, Y. - F., Byeon, C. - H., Hinck, C. S., Krzysiak, T., Ishima, R., López-Casillas, F., Cherepanov, P., Bernard, D. J., Hill, C. S., and Hinck, A. P. (2025) Structures of TGF-β with betaglycan and signaling receptors reveal mechanisms of complex assembly and signaling.. Nat Commun. 16, 1778
Robles, J. Torres, Stiegler, A. L., Boggon, T. J., and Turk, B. E. (2025) Cancer hotspot mutations rewire ERK2 specificity by selective exclusion of docking interactions. J Biol Chem. 10.1016/j.jbc.2025.108348
McLaughlin, J. E., Rudolph, M. J., Dutta, A., Li, X. - P., Tsymbal, A. M., Chen, Y., Bhattacharya, S., Algava, B., Goger, M., Roberge, J. Y., and Tumer, N. E. (2025) Binding of small molecules at the P-stalk site of ricin A subunit trigger conformational changes that extend into the active site. J Biol Chem. 10.1016/j.jbc.2025.108310
M Joyce, G., Bu, W., Chen, W. - H., Gillespie, R. A., Andrews, S. F., Wheatley, A. K., Tsybovsky, Y., Jensen, J. L., Stephens, T., Prabhakaran, M., Fisher, B. E., Narpala, S. R., Bagchi, M., McDermott, A. B., Nabel, G. J., Kwong, P. D., Mascola, J. R., Cohen, J. I., and Kanekiyo, M. (2025) Structural basis for complement receptor engagement and virus neutralization through Epstein-Barr virus gp350. Immunity. 58, 295-308.e5
Tang, J., Moorthy, R., Hirsch, L. E., Demir, Ö., Baker, Z. D., Naumann, J. A., Jones, K. F. M., Grillo, M. J., Haefner, E. S., Shi, K., Levy, M. J., Gupta, H. B., Aihara, H., Harris, R. S., Amaro, R. E., Levinson, N. M., and Harki, D. A. (2025) Targeting N-Myc in neuroblastoma with selective Aurora kinase A degraders. Cell Chem Biol. 32, 352-362.e10
Yirmiya, E., Hobbs, S. J., Leavitt, A., Osterman, I., Avraham, C., Hochhauser, D., Madhala, B., Skovorodka, M., Tan, J. M. J., Toyoda, H. C., Chebotar, I., Itkin, M., Malitsky, S., Amitai, G., Kranzusch, P. J., and Sorek, R. (2025) Structure-guided discovery of viral proteins that inhibit host immunity. Cell. 10.1016/j.cell.2024.12.035
Czyzyk, D., Yan, W., Messing, S., Gillette, W., Tsuji, T., Yamaguchi, M., Furuzono, S., Turner, D. M., Esposito, D., Nissley, D. V., McCormick, F., and Simanshu, D. K. (2025) Structural insights into isoform-specific RAS-PI3Kα interactions and the role of RAS in PI3Kα activation.. Nat Commun. 16, 525
Garg, A., On, K. Fan, Xiao, Y., Elkayam, E., Cifani, P., David, Y., and Joshua-Tor, L. (2025) The molecular basis of Human FN3K mediated phosphorylation of glycated substrates. Nat Commun. 16, 941
Ackloo, S., Li, F., Szewczyk, M., Seitova, A., Loppnau, P., Zeng, H., Xu, J., Ahmad, S., Arnautova, Y. A., Baghaie, A. J., Beldar, S., Bolotokova, A., Centrella, P. A., Chau, I., Clark, M. A., Cuozzo, J. W., Dehghani-Tafti, S., Disch, J. S., Dong, A., Dumas, A., Feng, J. A., Ghiabi, P., Gibson, E., Gilmer, J., Goldman, B., Green, S. R., Guié, M. - A., Guilinger, J. P., Harms, N., Herasymenko, O., Houliston, S., Hutchinson, A., Kearnes, S., Keefe, A. D., Kimani, S. W., Kramer, T., Kutera, M., Kwak, H. A., Lento, C., Li, Y., Liu, J., Loup, J., Machado, R. A. C., Mulhern, C. J., Perveen, S., Righetto, G. L., Riley, P., Shrestha, S., Sigel, E. A., Silva, M., Sintchak, M. D., Slakman, B. L., Taylor, R. D., Thompson, J., Torng, W., Underkoffler, C., von Rechenberg, M., Walsh, R. T., Watson, I., Wilson, D. J., Wolf, E., Yadav, M., Yazdi, A. K., Zhang, J., Zhang, Y., Santhakumar, V., Edwards, A. M., Barsyte-Lovejoy, D., Schapira, M., Brown, P. J., Halabelian, L., and Arrowsmith, C. H. (2025) A Target Class Ligandability Evaluation of WD40 Repeat-Containing Proteins. J Med Chem. 68, 1092-1112
Liu, H., Zask, A., Forouhar, F., Iketani, S., Williams, A., Vaz, D. R., Habashi, D., Choi, K., Resnick, S. J., Hong, S. Jung, Lovett, D. H., Bai, T., Chavez, A., Ho, D. D., and Stockwell, B. R. (2025) Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening. Nat Commun. 16, 152
Wang, H., Cheng, C., Dal Santo, J. L., Shen, C. - H., Bylund, T., Henry, A. R., Howe, C. A., Hwang, J., Morano, N. C., Morris, D. J., Pletnev, S., Roark, R. S., Zhou, T., Hansen, B. T., Hoyt, F. H., Johnston, T. S., Wang, S., Zhang, B., Ambrozak, D. R., Becker, J. E., Bender, M. F., Changela, A., Chaudhary, R., Corcoran, M., Corrigan, A. R., Foulds, K. E., Guo, Y., Lee, M., Li, Y., Lin, B. C., Liu, T., Louder, M. K., Mandolesi, M., Mason, R. D., McKee, K., Nair, V., O'Dell, S., Olia, A. S., Ou, L., Pegu, A., Raju, N., Rawi, R., Roberts-Torres, J., Sarfo, E. K., Sastry, M., Schaub, A. J., Schmidt, S. D., Schramm, C. A., Schwartz, C. L., Smith, S. C., Stephens, T., Stuckey, J., Teng, I. - T., Todd, J. - P., Tsybovsky, Y., Van Wazer, D. J., Wang, S., Doria-Rose, N. A., Fischer, E. R., Georgiev, I. S., Hedestam, G. B. Karlsson, Sheng, Z., Woodward, R. A., Douek, D. C., Koup, R. A., Pierson, T. C., Shapiro, L., Shaw, G. M., Mascola, J. R., and Kwong, P. D. (2024) Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques. Cell. 187, 7214-7231.e23
Barnes, C. L., Salom, D., Namitz, K. E. W., W Smith, C., Knutson, B. A., Cosgrove, M. S., Kiser, P. D., and Calvert, P. D. (2024) Mechanisms of amphibian arrestin 1 self-association and dynamic distribution in retinal photoreceptors. J Biol Chem. 300, 107966
Gogar, R. K., Chhikara, N., Vo, M., Gilbert, N. C., Dunkle, J. A., and Frantom, P. A. (2024) The structure of the SufS-SufE complex reveals interactions driving protected persulfide transfer in iron-sulfur cluster biogenesis. J Biol Chem. 300, 107641
Rudolph, M. J., Chen, Y., Vorauer, C., Vance, D. J., Piazza, C. Lyn, Willsey, G. G., McCarthy, K., Muriuki, B., Cavacini, L. A., Guttman, M., and Mantis, N. J. (2024) Structure of a Human Monoclonal Antibody in Complex with Outer Surface Protein C of the Lyme Disease Spirochete, Borreliella burgdorferi. J Immunol. 213, 1234-1243
Cao, R., Gozlan, O., Airich, A., Tveriakhina, L., Zhou, H., Jiang, H., Cole, P. A., Aster, J. C., Klein, T., Sprinzak, D., and Blacklow, S. C. (2024) Structural requirements for activity of Mind bomb1 in Notch signaling. Structure. 32, 1667-1676.e5
Zhao, H., Beyett, T. S., Jiang, J., Rana, J. K., Schaeffner, I. K., Santana, J., Jänne, P. A., and Eck, M. J. (2024) Biochemical analysis of EGFR exon20 insertion variants insASV and insSVD and their inhibitor sensitivity. Proc Natl Acad Sci U S A. 121, e2417144121
Nemri, J., Morales, C., Gilbert, N. C., Majewski, J., Newcomer, M. E., and Zanden, C. M. Vander (2024) Structure of a model lipid membrane oxidized by human 15-lipoxygenase-2. Biochem Biophys Res Commun. 737, 150533
Torrens-Spence, M. P., Matos, J. O., Li, T., Kastner, D. W., Kim, C. Y., Wang, Z., Glinkerman, C. M., Sherk, J., Kulik, H. J., Wang, Y., and Weng, J. - K. (2024) Mechanistic basis for the emergence of EPS1 as a catalyst in salicylic acid biosynthesis of Brassicaceae. Nat Commun. 15, 10356
Anderson, M. J. M., Hayward, A. N., Smiley, A. T., Shi, K., Pawlak, M. R., Aird, E. J., Grant, E., Greenberg, L., Aihara, H., Evans, R. L., Ulens, C., and Gordon, W. R. (2024) Molecular basis of proteolytic cleavage regulation by the extracellular matrix receptor dystroglycan. Structure. 32, 1984-1996.e5
Jana, S., Shang, J., Hong, J. Young, Fenwick, M. K., Puri, R., Lu, X., Melnick, A. M., Li, M., and Lin, H. (2024) A Mitochondria-Targeting SIRT3 Inhibitor with Activity against Diffuse Large B Cell Lymphoma. J Med Chem. 67, 15428-15437
Gonzalez, R., Soule, J., Phan, N., Wicht, D. K., and Dowling, D. P. (2024) Structural, biophysical, and biochemical insights into C-S bond cleavage by dimethylsulfone monooxygenase. Proc Natl Acad Sci U S A. 121, e2401858121
Kumar, R. P., Matos, J. O., Black, B. Y., Ellenburg, W. H., Chen, J., Patterson, M. K., Gehtman, J. A., Theobald, D. L., Krauss, I. J., and Oprian, D. D. (2024) Crystal Structure of Caryolan-1-ol Synthase, a Sesquiterpene Synthase Catalyzing an Initial Anti-Markovnikov Cyclization Reaction. Biochemistry. 63, 2904-2915
Warren, G. M., and Shuman, S. (2024) Structure and psoralen DNA crosslink repair activity of mycobacterial Nei2. mBio. 15, e0124824
Huang, W., Baliga, C., Aleksandrova, E. V., Atkinson, G., Polikanov, Y. S., Vázquez-Laslop, N., and Mankin, A. S. (2024) Activity, structure, and diversity of Type II proline-rich antimicrobial peptides from insects. EMBO Rep. 25, 5194-5211
Tanner, J. J., Ji, J., Bogner, A. N., Scott, G. K., Patel, S. M., Seravalli, J., Gates, K. S., Benz, C. C., and Becker, D. F. (2024) Noncovalent Inhibition and Covalent Inactivation of Proline Dehydrogenase by Analogs of -Propargylglycine. Biochemistry. 63, 2855-2867
Hsiao, Y. - C., Wallweber, H. Ackerly, Alberstein, R. G., Lin, Z., Du, C., Etxeberria, A., Aung, T., Shang, Y., Seshasayee, D., Seeger, F., Watkins, A. M., Hansen, D. V., Bohlen, C. J., Hsu, P. L., and Hötzel, I. (2024) Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining. Nat Commun. 15, 8382
Kilgas, S., Syed, A., Toolan-Kerr, P., Swift, M. L., Roychoudhury, S., Sarkar, A., Wilkins, S., Quigley, M., Poetsch, A. R., Botuyan, M. Victoria, Cui, G., Mer, G., Ule, J., Drané, P., and Chowdhury, D. (2024) NEAT1 modulates the TIRR/53BP1 complex to maintain genome integrity. Nat Commun. 15, 8438

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