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Mulligan, V. Khipple, Kang, C. S., Sawaya, M. R., Rettie, S., Li, X., Antselovich, I., Craven, T. W., Watkins, A. M., Labonte, J. W., DiMaio, F., Yeates, T. O., and Baker, D. (2020) Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci. 10.1002/pro.3974
Kim, D., Woodbury, S. M., Ahern, W., Tischer, D., Kang, A., Joyce, E., Bera, A. K., Hanikel, N., Salike, S., Krishna, R., Yim, J., Pellock, S. J., Lauko, A., Kalvet, I., Hilvert, D., and Baker, D. (2026) Computational design of metallohydrolases. Nature. 649, 246-253
Kim, D., Woodbury, S. M., Ahern, W., Tischer, D., Kang, A., Joyce, E., Bera, A. K., Hanikel, N., Salike, S., Krishna, R., Yim, J., Pellock, S. J., Lauko, A., Kalvet, I., Hilvert, D., and Baker, D. (2026) Computational design of metallohydrolases. Nature. 649, 246-253
Kim, D., Woodbury, S. M., Ahern, W., Tischer, D., Kang, A., Joyce, E., Bera, A. K., Hanikel, N., Salike, S., Krishna, R., Yim, J., Pellock, S. J., Lauko, A., Kalvet, I., Hilvert, D., and Baker, D. (2026) Computational design of metallohydrolases. Nature. 649, 246-253
Kim, D., Woodbury, S. M., Ahern, W., Tischer, D., Kang, A., Joyce, E., Bera, A. K., Hanikel, N., Salike, S., Krishna, R., Yim, J., Pellock, S. J., Lauko, A., Kalvet, I., Hilvert, D., and Baker, D. (2026) Computational design of metallohydrolases. Nature. 649, 246-253
Bryan, C. M., Rocklin, G. J., Bick, M. J., Ford, A., Majri-Morrison, S., Kroll, A. V., Miller, C. J., Carter, L., Goreshnik, I., Kang, A., DiMaio, F., Tarbell, K. V., and Baker, D. (2021) Computational design of a synthetic PD-1 agonist. Proc Natl Acad Sci U S A. 10.1073/pnas.2102164118
Bryan, C. M., Rocklin, G. J., Bick, M. J., Ford, A., Majri-Morrison, S., Kroll, A. V., Miller, C. J., Carter, L., Goreshnik, I., Kang, A., DiMaio, F., Tarbell, K. V., and Baker, D. (2021) Computational design of a synthetic PD-1 agonist. Proc Natl Acad Sci U S A. 10.1073/pnas.2102164118
Kümmel, D., Krishnakumar, S. S., Radoff, D. T., Li, F., Giraudo, C. G., Pincet, F., Rothman, J. E., and Reinisch, K. M. (2011) Complexin cross-links prefusion SNAREs into a zigzag array. Nat Struct Mol Biol. 18, 927-33
Kümmel, D., Krishnakumar, S. S., Radoff, D. T., Li, F., Giraudo, C. G., Pincet, F., Rothman, J. E., and Reinisch, K. M. (2011) Complexin cross-links prefusion SNAREs into a zigzag array. Nat Struct Mol Biol. 18, 927-33
Simpson, B. W., Pahil, K. S., Owens, T. W., Lundstedt, E. A., Davis, R. M., Kahne, D., and Ruiz, N. (2019) Combining Mutations That Inhibit Two Distinct Steps of the ATP Hydrolysis Cycle Restores Wild-Type Function in the Lipopolysaccharide Transporter and Shows that ATP Binding Triggers Transport. MBio. 10.1128/mBio.01931-19
Wang, Q., Michailidis, E., Yu, Y., Wang, Z., Hurley, A. M., Oren, D. A., Mayer, C. T., Gazumyan, A., Liu, Z., Zhou, Y., Schoofs, T., Yao, K. - H., Nieke, J. P., Wu, J., Jiang, Q., Zou, C., Kabbani, M., Quirk, C., Oliveira, T., Chhosphel, K., Zhang, Q., Schneider, W. M., Jahan, C., Ying, T., Horowitz, J., Caskey, M., Jankovic, M., Robbiani, D. F., Wen, Y., de Jong, Y. P., Rice, C. M., and Nussenzweig, M. C. (2020) A Combination of Human Broadly Neutralizing Antibodies against Hepatitis B Virus HBsAg with Distinct Epitopes Suppresses Escape Mutations. Cell Host Microbe. 28, 335-349.e6
Gunaratne, R., Kumar, S., Frederiksen, J. W., Stayrook, S., Lohrmann, J. L., Perry, K., Bompiani, K. M., Chabata, C. V., Thalji, N. K., Ho, M. D., Arepally, G., Camire, R. M., Krishnaswamy, S., and Sullenger, B. A. (2018) Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass. Nat Biotechnol. 10.1038/nbt.4153
Gunaratne, R., Kumar, S., Frederiksen, J. W., Stayrook, S., Lohrmann, J. L., Perry, K., Bompiani, K. M., Chabata, C. V., Thalji, N. K., Ho, M. D., Arepally, G., Camire, R. M., Krishnaswamy, S., and Sullenger, B. A. (2018) Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass. Nat Biotechnol. 10.1038/nbt.4153
Lynch, M. J., Levenson, R., Kim, E. A., Sircar, R., Blair, D. F., Dahlquist, F. W., and Crane, B. R. (2017) Co-Folding of a FliF-FliG Split Domain Forms the Basis of the MS:C Ring Interface within the Bacterial Flagellar Motor. Structure. 25, 317-328
Passalacqua, L. F. M., Starich, M. R., Link, K. A., Wu, J., Knutson, J. R., Tjandra, N., Jaffrey, S. R., and Ferré-D'Amaré, A. R. (2023) Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture. Nat Commun. 14, 2969
Kimani, S. W., Perveen, S., Szewezyk, M., Zeng, H., Dong, A., Li, F., Ghiabi, P., Li, Y., Chau, I., Arrowsmith, C. H., Barsyte-Lovejoy, D., Santhakumar, V., Vedadi, M., and Halabelian, L. (2023) The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition. Commun Biol. 6, 1272
Maisonneuve, P., Sahmi, M., Bergeron-Labrecque, F., Ma, X. Iris, Queguiner, J., Arseneault, G., Lefrançois, M., Kurinov, I., Fronzes, R., Sicheri, F., and Therrien, M. (2024) The CNK-HYP scaffolding complex promotes RAF activation by enhancing KSR-MEK interaction. Nat Struct Mol Biol. 10.1038/s41594-024-01233-6
Rajakulendran, T., Sahmi, M., Kurinov, I., Tyers, M., Therrien, M., and Sicheri, F. (2008) CNK and HYP form a discrete dimer by their SAM domains to mediate RAF kinase signaling. Proc Natl Acad Sci U S A. 105, 2836-41
Mawla, G. D., Hall, B. M., Cárcamo-Oyarce, G., Grant, R. A., Zhang, J. Jia, Kardon, J. R., Ribbeck, K., Sauer, R. T., and Baker, T. A. (2020) ClpP1P2 peptidase activity promotes biofilm formation in P. aeruginosa. Mol Microbiol. 10.1111/mmi.14649
Liang, X., Qiu, X., Dionne, G., Cunningham, C. L., Pucak, M. L., Peng, G., Kim, Y. - H., Lauer, A., Shapiro, L., and Müller, U. (2021) CIB2 and CIB3 are auxiliary subunits of the mechanotransduction channel of hair cells. Neuron. 10.1016/j.neuron.2021.05.007
Kim, Y., Rosenberg, S. C., Kugel, C. L., Kostow, N., Rog, O., Davydov, V., Su, T. Y., Dernburg, A. F., and Corbett, K. D. (2014) The chromosome axis controls meiotic events through a hierarchical assembly of HORMA domain proteins. Dev Cell. 31, 487-502
Kim, Y., Rosenberg, S. C., Kugel, C. L., Kostow, N., Rog, O., Davydov, V., Su, T. Y., Dernburg, A. F., and Corbett, K. D. (2014) The chromosome axis controls meiotic events through a hierarchical assembly of HORMA domain proteins. Dev Cell. 31, 487-502
Kim, Y., Rosenberg, S. C., Kugel, C. L., Kostow, N., Rog, O., Davydov, V., Su, T. Y., Dernburg, A. F., and Corbett, K. D. (2014) The chromosome axis controls meiotic events through a hierarchical assembly of HORMA domain proteins. Dev Cell. 31, 487-502
Qiu, W., Trinh, T. Kim Hoang, Catalano, C., Mehta, A., Desai, U. R., Kellogg, G. E., Hendrickson, W. A., and Guo, Y. (2025) Cholesterol-dependent enzyme activity of human TSPO1. Proc Natl Acad Sci U S A. 122, e2323045122
Mandal, K., Uppalapati, M., Ault-Riché, D., Kenney, J., Lowitz, J., Sidhu, S. S., and Kent, S. B. H. (2012) Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography. Proc Natl Acad Sci U S A. 109, 14779-84

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