Publications

Found 1338 results
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Journal Article
Kimani, S. W., Owen, J., Green, S. R., Li, F., Li, Y., Dong, A., Brown, P. J., Ackloo, S., Kuter, D., Yang, C., MacAskill, M., MacKinnon, S. Scott, Arrowsmith, C. H., Schapira, M., Shahani, V., and Halabelian, L. (2023) Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. J Chem Inf Model. 63, 4070-4078
Kimani, S. W., Owen, J., Green, S. R., Li, F., Li, Y., Dong, A., Brown, P. J., Ackloo, S., Kuter, D., Yang, C., MacAskill, M., MacKinnon, S. Scott, Arrowsmith, C. H., Schapira, M., Shahani, V., and Halabelian, L. (2023) Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. J Chem Inf Model. 63, 4070-4078
Jang, J., Son, J., Park, E., Kosaka, T., Saxon, J. A., De Clercq, D. J. H., Choi, H. Geun, Tanizaki, J., Eck, M. J., Jänne, P. A., and Gray, N. S. (2018) Discovery of a Highly Potent and Broadly Effective Epidermal Growth Factor Receptor and HER2 Exon 20 Insertion Mutant Inhibitor. Angew Chem Int Ed Engl. 57, 11629-11633
Ahmad, S., Xu, J., Feng, J. A., Hutchinson, A., Zeng, H., Ghiabi, P., Dong, A., Centrella, P. A., Clark, M. A., Guié, M. - A., Guilinger, J. P., Keefe, A. D., Zhang, Y., Cerruti, T., Cuozzo, J. W., von Rechenberg, M., Bolotokova, A., Li, Y., Loppnau, P., Seitova, A., Li, Y. - Y., Santhakumar, V., Brown, P. J., Ackloo, S., and Halabelian, L. (2023) Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J Med Chem. 66, 16051-16061
Allali-Hassani, A., Szewczyk, M. M., Ivanochko, D., Organ, S. L., Bok, J., Ho, J. Sook Yuin, Gay, F. P. H., Li, F., Blazer, L., Eram, M. S., Halabelian, L., Dilworth, D., Luciani, G. M., Lima-Fernandes, E., Wu, Q., Loppnau, P., Palmer, N., S Talib, Z. A., Brown, P. J., Schapira, M., Kaldis, P., O'Hagan, R. C., Guccione, E., Barsyte-Lovejoy, D., Arrowsmith, C. H., Sanders, J. M., Kattar, S. D., D Bennett, J., Nicholson, B., and Vedadi, M. (2019) Discovery of a chemical probe for PRDM9. Nat Commun. 10, 5759
Allali-Hassani, A., Szewczyk, M. M., Ivanochko, D., Organ, S. L., Bok, J., Ho, J. Sook Yuin, Gay, F. P. H., Li, F., Blazer, L., Eram, M. S., Halabelian, L., Dilworth, D., Luciani, G. M., Lima-Fernandes, E., Wu, Q., Loppnau, P., Palmer, N., S Talib, Z. A., Brown, P. J., Schapira, M., Kaldis, P., O'Hagan, R. C., Guccione, E., Barsyte-Lovejoy, D., Arrowsmith, C. H., Sanders, J. M., Kattar, S. D., D Bennett, J., Nicholson, B., and Vedadi, M. (2019) Discovery of a chemical probe for PRDM9. Nat Commun. 10, 5759
Huynh, K., Kibrom, A., Donald, B. R., and Zhou, P. (2023) Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from and targeting LptA. J Struct Biol X. 8, 100091
Chana, C. K., Maisonneuve, P., Posternak, G., Grinberg, N. G. A., Poirson, J., Ona, S. M., Ceccarelli, D. F., Mader, P., St-Cyr, D. J., Pau, V., Kurinov, I., Tang, X., Deng, D., Cui, W., Su, W., Kuai, L., Soll, R., Tyers, M., Röst, H. L., Batey, R. A., Taipale, M., Gingras, A. - C., and Sicheri, F. (2022) Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J Med Chem. 10.1021/acs.jmedchem.2c00509
Chana, C. K., Maisonneuve, P., Posternak, G., Grinberg, N. G. A., Poirson, J., Ona, S. M., Ceccarelli, D. F., Mader, P., St-Cyr, D. J., Pau, V., Kurinov, I., Tang, X., Deng, D., Cui, W., Su, W., Kuai, L., Soll, R., Tyers, M., Röst, H. L., Batey, R. A., Taipale, M., Gingras, A. - C., and Sicheri, F. (2022) Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J Med Chem. 10.1021/acs.jmedchem.2c00509
Davila-Hernandez, F. A., Jin, B., Pyles, H., Zhang, S., Wang, Z., Huddy, T. F., Bera, A. K., Kang, A., Chen, C. - L., De Yoreo, J. J., and Baker, D. (2023) Directing polymorph specific calcium carbonate formation with de novo protein templates. Nat Commun. 14, 8191
Yasui, N., Findlay, G. M., Gish, G. D., Hsiung, M. S., Huang, J., Tucholska, M., Taylor, L., Smith, L., W Boldridge, C., Koide, A., Pawson, T., and Koide, S. (2014) Directed network wiring identifies a key protein interaction in embryonic stem cell differentiation. Mol Cell. 54, 1034-41
Yasui, N., Findlay, G. M., Gish, G. D., Hsiung, M. S., Huang, J., Tucholska, M., Taylor, L., Smith, L., W Boldridge, C., Koide, A., Pawson, T., and Koide, S. (2014) Directed network wiring identifies a key protein interaction in embryonic stem cell differentiation. Mol Cell. 54, 1034-41
Unger, E. K., Keller, J. P., Altermatt, M., Liang, R., Matsui, A., Dong, C., Hon, O. J., Yao, Z., Sun, J., Banala, S., Flanigan, M. E., Jaffe, D. A., Hartanto, S., Carlen, J., Mizuno, G. O., Borden, P. M., Shivange, A. V., Cameron, L. P., Sinning, S., Underhill, S. M., Olson, D. E., Amara, S. G., Lang, D. Temple, Rudnick, G., Marvin, J. S., Lavis, L. D., Lester, H. A., Alvarez, V. A., Fisher, A. J., Prescher, J. A., Kash, T. L., Yarov-Yarovoy, V., Gradinaru, V., Looger, L. L., and Tian, L. (2020) Directed Evolution of a Selective and Sensitive Serotonin Sensor via Machine Learning. Cell. 183, 1986-2002.e26
Unger, E. K., Keller, J. P., Altermatt, M., Liang, R., Matsui, A., Dong, C., Hon, O. J., Yao, Z., Sun, J., Banala, S., Flanigan, M. E., Jaffe, D. A., Hartanto, S., Carlen, J., Mizuno, G. O., Borden, P. M., Shivange, A. V., Cameron, L. P., Sinning, S., Underhill, S. M., Olson, D. E., Amara, S. G., Lang, D. Temple, Rudnick, G., Marvin, J. S., Lavis, L. D., Lester, H. A., Alvarez, V. A., Fisher, A. J., Prescher, J. A., Kash, T. L., Yarov-Yarovoy, V., Gradinaru, V., Looger, L. L., and Tian, L. (2020) Directed Evolution of a Selective and Sensitive Serotonin Sensor via Machine Learning. Cell. 183, 1986-2002.e26
Zhang, Y., Zhu, X., Torelli, A. T., Lee, M., Dzikovski, B., Koralewski, R. M., Wang, E., Freed, J., Krebs, C., Ealick, S. E., and Lin, H. (2010) Diphthamide biosynthesis requires an organic radical generated by an iron-sulphur enzyme. Nature. 465, 891-6
Zhang, Y., Zhu, X., Torelli, A. T., Lee, M., Dzikovski, B., Koralewski, R. M., Wang, E., Freed, J., Krebs, C., Ealick, S. E., and Lin, H. (2010) Diphthamide biosynthesis requires an organic radical generated by an iron-sulphur enzyme. Nature. 465, 891-6
Huang, H., Zeqiraj, E., Dong, B., Jha, B. Kant, Duffy, N. M., Orlicky, S., Thevakumaran, N., Talukdar, M., Pillon, M. C., Ceccarelli, D. F., Wan, L. C. K., Juang, Y. - C., Mao, D. Y. L., Gaughan, C., Brinton, M. A., Perelygin, A. A., Kourinov, I., Guarné, A., Silverman, R. H., and Sicheri, F. (2014) Dimeric structure of pseudokinase RNase L bound to 2-5A reveals a basis for interferon-induced antiviral activity. Mol Cell. 53, 221-34
Muok, A. R., Deng, Y., Gumerov, V. M., Chong, J. E., DeRosa, J. R., Kurniyati, K., Coleman, R. E., Lancaster, K. M., Li, C., Zhulin, I. B., and Crane, B. R. (2019) A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species. Proc Natl Acad Sci U S A. 116, 14955-14960
de Miranda, R., Cuthbert, B. J., Klevorn, T., Chao, A., Mendoza, J., Arbing, M., Sieminski, P. J., Papavinasasundaram, K., Abdul-Hafiz, S., Chan, S., Sassetti, C. M., Ehrt, S., and Goulding, C. W. (2023) Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake. PLoS Pathog. 19, e1011650
Ketkar, A., Zafar, M. K., Banerjee, S., Marquez, V. E., Egli, M., and Eoff, R. L. (2012) Differential furanose selection in the active sites of archaeal DNA polymerases probed by fixed-conformation nucleotide analogues. Biochemistry. 51, 9234-44
Rothenburger, T., Thomas, D., Schreiber, Y., Wratil, P. R., Pflantz, T., Knecht, K., Digianantonio, K., Temple, J., Schneider, C., Baldauf, H. - M., McLaughlin, K. - M., Rothweiler, F., Bilen, B., Farmand, S., Bojkova, D., Costa, R., Ferreirós, N., Geisslinger, G., Oellerich, T., Xiong, Y., Keppler, O. T., Wass, M. N., Michaelis, M., and Cinatl, J. (2021) Differences between intrinsic and acquired nucleoside analogue resistance in acute myeloid leukaemia cells. J Exp Clin Cancer Res. 40, 317
Rothenburger, T., Thomas, D., Schreiber, Y., Wratil, P. R., Pflantz, T., Knecht, K., Digianantonio, K., Temple, J., Schneider, C., Baldauf, H. - M., McLaughlin, K. - M., Rothweiler, F., Bilen, B., Farmand, S., Bojkova, D., Costa, R., Ferreirós, N., Geisslinger, G., Oellerich, T., Xiong, Y., Keppler, O. T., Wass, M. N., Michaelis, M., and Cinatl, J. (2021) Differences between intrinsic and acquired nucleoside analogue resistance in acute myeloid leukaemia cells. J Exp Clin Cancer Res. 40, 317
Korman, T. P., Sahachartsiri, B., Charbonneau, D. M., Huang, G. L., Beauregard, M., and Bowie, J. U. (2013) Dieselzymes: development of a stable and methanol tolerant lipase for biodiesel production by directed evolution. Biotechnol Biofuels. 6, 70
Serafim, R. A. M., Santiago, Ada Silva, Schwalm, M. P., Hu, Z., Reis, C. V. Dos, Takarada, J. E., Mezzomo, P., Massirer, K. B., Kudolo, M., Gerstenecker, S., Chaikuad, A., Zender, L., Knapp, S., Laufer, S., Couñago, R. M., and Gehringer, M. (2022) Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor. J Med Chem. 65, 3173-3192
Serafim, R. A. M., Santiago, Ada Silva, Schwalm, M. P., Hu, Z., Reis, C. V. Dos, Takarada, J. E., Mezzomo, P., Massirer, K. B., Kudolo, M., Gerstenecker, S., Chaikuad, A., Zender, L., Knapp, S., Laufer, S., Couñago, R. M., and Gehringer, M. (2022) Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor. J Med Chem. 65, 3173-3192

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