Publications

Found 187 results
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2026
Bubenik, M., Mader, P., Orlicky, S., Perryman, A. L., Hamel, M., Godbout, C., Falgueyret, J. - P., Kurinov, I., Wong, C., Gingras, A. Claude, Mamane, Y., Zinda, M., Morris, S. J., Gallant, M., Sfeir, A., W Black, C., Durocher, D., Zimmermann, M., and Sicheri, F. (2026) Design of a Targeted Covalent Probe to Interrogate the DNA Polymerase Activity of Polθ.. ACS Med Chem Lett. 17, 433-440
Smil, D., Liu, Y., Xin, T., Kiyota, T., Aman, A., Grouleff, J., Hoffer, L., Joshi, D. C., Inanlou, M. R., Song, S., Mao, D. Y. L., Ogunjimi, A. A., Pau, V., Chini, F. D., Kurinov, I., Zhang, Y., Nguyen, A. Thu, Wrana, J. L., Sicheri, F., Attisano, L., Uehling, D., Al-awar, R., and Isaac, M. B. (2026) Discovery and development of potent and selective dual NUAK/MARK inhibitors as Hippo pathway modulators for the treatment of cancer. Eur J Med Chem. 311, 118798
Landry, M. L., Malhotra, S., Beresini, M., Chan, C., Chan, E., de la Cruz, C. C., Endres, N. F., Evangelista, M., Gustafson, A., Hu, D., Hunsaker, T., Hsu, P., Izrayelit, Y., La, H., Larrocha, P. Saenz- Lope, Lian, Q., Merchant, M., Mao, J., Mroue, R., Oh, A., Plise, E., Shao, C., Siu, M., Tran, J. C., Wang, Y., Wang, W., Wei, B., Wong, S., Yen, C. - W., Zhou, Y., Purkey, H. E., Heffron, T. P., and Salphati, L. (2026) Discovery and Optimization of a Potent, Efficacious, and Brain-Penetrant Inhibitor of KRAS G12C. J Med Chem. 69, 5241-5258
Chen, H., Dutta, R. Prasad, Li, Z., Zhong, Y., Ma, A., Park, K. - S., Kottur, J., Park, A., Babault, N., Wang, K., Wang, D., Xiong, Y., H Kaniskan, Ü., Luo, M., Parekh, S., and Jin, J. (2026) Discovery of a Potent, Selective, and In Vivo Efficacious Covalent Inhibitor for Lysine Methyltransferase SETD8. J Med Chem. 69, 4255-4269
Shamir, Y., Gabizon, R., Rogel, A., Lin, D. Yin-wei, Andreotti, A. H., and London, N. (2026) Discovery of Covalent Ligands with AlphaFold3. J Am Chem Soc. 148, 13043-13054
Huet-Calderwood, C., Fisher, O. S., Das, S., Su, V. L., Boggon, T. J., and Calderwood, D. A. (2026) Dual recruitment of two CCM2 molecules to KRIT1 suppresses KLF4 expression. Nat Commun. 10.1038/s41467-026-69595-7
2025
Torres, S. Vázquez, Valle, M. Benard, Mackessy, S. P., Menzies, S. K., Casewell, N. R., Ahmadi, S., Burlet, N. J., Muratspahić, E., Sappington, I., Overath, M. D., Rivera-de-Torre, E., Ledergerber, J., Laustsen, A. H., Boddum, K., Bera, A. K., Kang, A., Brackenbrough, E., Cardoso, I. A., Crittenden, E. P., Edge, R. J., Decarreau, J., Ragotte, R. J., Pillai, A. S., Abedi, M., Han, H. L., Gerben, S. R., Murray, A., Skotheim, R., Stuart, L., Stewart, L., Fryer, T. J. A., Jenkins, T. P., and Baker, D. (2025) De novo designed proteins neutralize lethal snake venom toxins. Nature. 10.1038/s41586-024-08393-x
Broerman, A. J., Pollmann, C., Zhao, Y., Lichtenstein, M. A., Jackson, M. D., Tessmer, M. H., Ryu, W. Hee, Ogishi, M., Abedi, M. H., Sahtoe, D. D., Allen, A., Kang, A., De La Cruz, J., Brackenbrough, E., Sankaran, B., Bera, A. K., Zuckerman, D. M., Stoll, S., K Garcia, C., Praetorius, F., Piehler, J., and Baker, D. (2025) Design of facilitated dissociation enables timing of cytokine signalling. Nature. 10.1038/s41586-025-09549-z
Scholtz, C. R., Doskey, L. C., Kandanur, S. Giridhar S., Vail, N. R., Roderick, E. R., Peterson, E. J., Hoell, Z. J., Shi, K., Aihara, H., Kostallari, E., Shah, V. H., Malhi, H., and Pomerantz, W. C. K. (2025) Development of cell-active BRD4-D1 selective inhibitors to decode the role of BET proteins in LPS-mediated liver inflammation. Eur J Med Chem. 304, 118519
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
Miranda, R., Anson, F., Smith, S. T., Ultsch, M., Tenorio, C. A., Rougé, L., Farrell, B., Adaligil, E., Holden, J. K., Harris, S. F., and Dueber, E. C. (2025) Discovery and characterization of potent macrocycle inhibitors of ubiquitin-specific protease-7. Structure. 10.1016/j.str.2025.01.021
Tresco, B. I. C., J Y Wu, K., Ramkissoon, A., Aleksandrova, E. V., Purdy, M., N Y See, D., Liu, R. Y., Polikanov, Y. S., and Myers, A. G. (2025) Discovery of a fluorinated macrobicyclic antibiotic through chemical synthesis. Nat Chem. 10.1038/s41557-025-01738-7
Bergman, H. M., Fan, A. T., Jones, C. G., Rothenberger, A. J., Jha, K. K., Handford, R. C., Nelson, H. M., Liu, Y., and T Tilley, D. (2025) Discovery of an Interlocked and Interwoven Molecular Topology in Nanocarbons via Dynamic C-C Bond Formation. J Am Chem Soc. 147, 19132-19138
Nguyen, B. V., Özden, C., Dong, K., Koc, O. Can, Torres-Ocampo, A. P., Dziedzic, N., Flaherty, D., Huang, J., Sankara, S., Abromson, N. Lyn, Tomchick, D. R., Fissore, R. A., Chen, J., Garman, S. C., and Stratton, M. M. (2025) A domain-swapped CaMKII conformation facilitates linker-mediated allosteric regulation. Nat Commun. 16, 8461
Ma, J., Ayres, C. M., Brambley, C. A., Chandran, S. S., Rosales, T. J., Perera, W. W. J. Gihan, Eldaly, B., Murray, W. T., Corcelli, S. A., Kovrigin, E. L., Klebanoff, C. A., and Baker, B. M. (2025) Dynamic allostery in the peptide/MHC complex enables TCR neoantigen selectivity. Nat Commun. 16, 849
2024
Ennis, A. F., C Cochrane, S., Dome, P. A., Jeong, P., Yu, J., Lee, H., Williams, C. S., Ha, Y., Yang, W., Zhou, P., and Hong, J. (2024) Design and Evaluation of Pyridinyl Sulfonyl Piperazine LpxH Inhibitors with Potent Antibiotic Activity Against Enterobacterales. JACS Au. 4, 4383-4393
Sahtoe, D. D., Andrzejewska, E. A., Han, H. L., Rennella, E., Schneider, M. M., Meisl, G., Ahlrichs, M., Decarreau, J., Nguyen, H., Kang, A., Levine, P., Lamb, M., Li, X., Bera, A. K., Kay, L. E., Knowles, T. P. J., and Baker, D. (2024) Design of amyloidogenic peptide traps. Nat Chem Biol. 20, 981-990
Wright, N. J., Matsuoka, Y., Park, H., He, W., Webster, C. G., Furutani, K., Fedor, J. G., McGinnis, A., Zhao, Y., Chen, O., Bang, S., Fan, P., Spasojevic, I., Hong, J., Ji, R. - R., and Lee, S. - Y. (2024) Design of an equilibrative nucleoside transporter subtype 1 inhibitor for pain relief. Nat Commun. 15, 10738
Nayak, D., Lv, D., Yuan, Y., Zhang, P., Hu, W., Nayak, A., Ruben, E. A., Lv, Z., Sung, P., Hromas, R., Zheng, G., Zhou, D., and Olsen, S. K. (2024) Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL. Nat Commun. 15, 2743
Phelps, G. A., Cheramie, M. N., Fernando, D. M., Selchow, P., Meyer, C. J., Waidyarachchi, S. L., Dharuman, S., Liu, J., Meuli, M., Dal Molin, M., Killam, B. Y., Murphy, P. A., Reeve, S. M., Wilt, L. A., Anderson, S. M., Yang, L., Lee, R. B., Temrikar, Z. H., Lukka, P. B., Meibohm, B., Polikanov, Y. S., Hobbie, S. N., Böttger, E. C., Sander, P., and Lee, R. E. (2024) Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in abscessus. Proc Natl Acad Sci U S A. 121, e2314101120
Chase, D. H., Bebenek, A. M., Nie, P., Jaime-Figueroa, S., Butrin, A., Castro, D. A., Hines, J., Linhares, B. M., and Crews, C. M. (2024) Development of a Small Molecule Downmodulator for the Transcription Factor Brachyury. Angew Chem Int Ed Engl. 63, e202316496
Li, K., Krone, M. W., Butrin, A., Bond, M. J., Linhares, B. M., and Crews, C. M. (2024) Development of Ligands and Degraders Targeting MAGE-A3. J Am Chem Soc. 146, 24884-24891
Palani, S., Machida, Y., Alvey, J. R., Mishra, V., Welter, A. L., Cui, G., Bragantini, B., Botuyan, M. Victoria, Cong, A. T. Q., Mer, G., Schellenberg, M. J., and Machida, Y. J. (2024) Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes. Nat Commun. 15, 2064
Tassoulas, L. J., Rankin, J. A., Elias, M. H., and Wackett, L. P. (2024) Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes. Proc Natl Acad Sci U S A. 121, e2312652121
Sun, D., Storek, K. M., Tegunov, D., Yang, Y., Arthur, C. P., Johnson, M., Quinn, J. G., Liu, W., Han, G., Girgis, H. S., Alexander, M. Kate, Murchison, A. K., Shriver, S., Tam, C., Ijiri, H., Inaba, H., Sano, T., Yanagida, H., Nishikawa, J., Heise, C. E., Fairbrother, W. J., Tan, M. - W., Skelton, N., Sandoval, W., Sellers, B. D., Ciferri, C., Smith, P. A., Reid, P. C., Cunningham, C. N., Rutherford, S. T., and Payandeh, J. (2024) The discovery and structural basis of two distinct state-dependent inhibitors of BamA. Nat Commun. 15, 8718

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