High-throughput prediction of protein conformational distributions with subsampled AlphaFold2 von Monteiro da Silva, Gabriel, Cui, Jennifer Y., Dalgarno, David C., Lisi, George P., Rubenstein, Brenda M.

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AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance von O'Hare, Thomas, Shakespeare, William C., Zhu, Xiaotian, Eide, Christopher A., Rivera, Victor M., Wang, Frank, Adrian, Lauren T., Zhou, Tianjun, Huang, Wei-Sheng, Xu, Qihong, Metcalf, Chester A., Tyner, Jeffrey W., Loriaux, Marc M., Corbin, Amie S., Wardwell, Scott, Ning, Yaoyu, Keats, Jeffrey A., Wang, Yihan, Sundaramoorthi, Raji, Thomas, Mathew, Zhou, Dong, Snodgrass, Joseph, Commodore, Lois, Sawyer, Tomi K., Dalgarno, David C., Deininger, Michael W.N., Druker, Brian J., Clackson, Tim

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Author Correction: High-throughput prediction of protein conformational distributions with subsampled AlphaFold2 von Monteiro da Silva, Gabriel, Cui, Jennifer Y., Dalgarno, David C., Lisi, George P., Rubenstein, Brenda M.

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Discovery of 3-[2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide (AP24534), a Potent, Orally Active Pan-I... von Huang, Wei-Sheng, Metcalf, Chester A, Sundaramoorthi, Raji, Wang, Yihan, Zou, Dong, Thomas, R. Mathew, Zhu, Xiaotian, Cai, Lisi, Wen, David, Liu, Shuangying, Romero, Jan, Qi, Jiwei, Chen, Ingrid, Banda, Geetha, Lentini, Scott P, Das, Sasmita, Xu, Qihong, Keats, Jeff, Wang, Frank, Wardwell, Scott, Ning, Yaoyu, Snodgrass, Joseph T, Broudy, Marc I, Russian, Karin, Zhou, Tianjun, Commodore, Lois, Narasimhan, Narayana I, Mohemmad, Qurish K, Iuliucci, John, Rivera, Victor M, Dalgarno, David C, Sawyer, Tomi K, Clackson, Tim, Shakespeare, William C

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Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance von Zhou, Tianjun, Commodore, Lois, Huang, Wei-Sheng, Wang, Yihan, Thomas, Mathew, Keats, Jeff, Xu, Qihong, Rivera, Victor M, Shakespeare, William C, Clackson, Tim, Dalgarno, David C, Zhu, Xiaotian

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Activity of Dual SRC-ABL Inhibitors Highlights the Role of BCR/ABL Kinase Dynamics in Drug Resistance von Azam, Mohammad, Nardi, Valentina, Shakespeare, William C., Metcalf, Chester A., Bohacek, Regine S., Wang, Yihan, Sundaramoorthi, Raji, Sliz, Piotr, Veach, Darren R., Bornmann, William G., Clarkson, Bayard, Dalgarno, David C., Sawyer, Tomi K., Daley, George Q.

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Abstract 2644: AP32788, a potent, selective inhibitor of EGFR and HER2 oncogenic mutants, including exon 20 insertions, in preclinical models von Gonzalvez, Francois, Zhu, Xiaotian, Huang, Wei-Sheng, Baker, Theresa E., Ning, Yaoyu, Wardwell, Scott D., Nadworny, Sara, Zhang, Sen, Das, Biplab, Gong, Yongjin, Greenfield, Matthew T., Jang, Hyun G., Kohlmann, Anna, Li, Feng, Taslimi, Paul M., Tugnait, Meera, Xu, Yongjin, Ye, Emily Y., Youngsaye, Willmen W., Zech, Stephan G., Zhang, Yun, Zhou, Tianjun, Narasimhan, Narayana I., Dalgarno, David C., Shakespeare, William C., Rivera, Victor M.

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Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non–small cell lung cancer von Huang, Wei-Sheng, Li, Feng, Gong, Yongjin, Zhang, Yun, Youngsaye, Willmen, Xu, Yongjin, Zhu, Xiaotian, Greenfield, Matthew T., Kohlmann, Anna, Taslimi, Paul M., Toms, Angela, Zech, Stephan G., Zhou, Tianjun, Das, Biplab, Jang, Hyun G., Tugnait, Meera, Ye, Yihua E., Gonzalvez, Francois, Baker, Theresa E., Nadworny, Sara, Ning, Yaoyu, Wardwell, Scott D., Zhang, Sen, Gould, Alexandra E., Hu, Yongbo, Lane, Weston, Skene, Robert J., Zou, Hua, Clackson, Tim, Narasimhan, Narayana I., Rivera, Victor M., Dalgarno, David C., Shakespeare, William C.

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Identification of novel rapamycin derivatives as low-level impurities in active pharmaceutical ingredients von Zech, Stephan G, Carr, Michael, Mohemmad, Qurish K, Narasimhan, Narayana I, Murray, Christopher, Rozamus, Leonard W, Dalgarno, David C

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Src Inhibitors in Metastatic Bone Disease von Boyce, Brendan F, Xing, Lianping, Yao, Zhenqiang, Yamashita, Teruhito, Shakespeare, William C, Wang, Yihan, Metcalf, 3rd, Chester A, Sundaramoorthi, Raji, Dalgarno, David C, Iuliucci, John D, Sawyer, Tomi K

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Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery von Zech, Stephan G, Kohlmann, Anna, Zhou, Tianjun, Li, Feng, Squillace, Rachel M, Parillon, Lois E, Greenfield, Matthew T, Miller, David P, Qi, Jiwei, Thomas, R. Mathew, Wang, Yihan, Xu, Yongjin, Miret, Juan J, Shakespeare, William C, Zhu, Xiaotian, Dalgarno, David C

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Bone-Targeted 2,6,9-Trisubstituted purines: novel inhibitors of Src tyrosine kinase for the treatment of bone diseases von Wang, Yihan, Metcalf, Chester A., Shakespeare, William C., Sundaramoorthi, Raji, Keenan, Terence P., Bohacek, Regine S., van Schravendijk, Marie Rose, Violette, Shiela M., Narula, Surinder S., Dalgarno, David C., Haraldson, Chad, Keats, Jeffrey, Liou, Shuenn, Mani, Ukti, Pradeepan, Selvi, Ram, Mary, Adams, Susan, Weigele, Manfred, Sawyer, Tomi K.

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9-(Arenethenyl)purines as Dual Src/Abl Kinase Inhibitors Targeting the Inactive Conformation: Design, Synthesis, and Biological Evaluation von Huang, Wei-Sheng, Zhu, Xiaotian, Wang, Yihan, Azam, Mohammad, Wen, David, Sundaramoorthi, Raji, Thomas, R. Mathew, Liu, Shuangying, Banda, Geetha, Lentini, Scott P, Das, Sasmita, Xu, Qihong, Keats, Jeff, Wang, Frank, Wardwell, Scott, Ning, Yaoyu, Snodgrass, Joseph T, Broudy, Marc I, Russian, Karin, Daley, George Q, Iuliucci, John, Dalgarno, David C, Clackson, Tim, Sawyer, Tomi K, Shakespeare, William C

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Antiangiogenic and antitumor effects of src inhibition in ovarian carcinoma von HAN, Liz Y, LANDEN, Charles N, SHAKESPEARE, William C, YIHAN WANG, SUNDARAMOORTH, Raji, METCALF, Chester A, DALGARNO, David C, SAWYER, Tomi K, GALLICK, Gary E, SOOD, Anil K, TREVINO, Jose G, HALDER, Jyotsnabaran, LIN, Yvonne G, KAMAT, Aparna A, KIM, Tae-Jin, MERRITT, William M, COLEMAN, Robert L, GERSHENSON, David M

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Fragment Growing and Linking Lead to Novel Nanomolar Lactate Dehydrogenase Inhibitors von Kohlmann, Anna, Zech, Stephan G, Li, Feng, Zhou, Tianjun, Squillace, Rachel M, Commodore, Lois, Greenfield, Matthew T, Lu, Xiaohui, Miller, David P, Huang, Wei-Sheng, Qi, Jiwei, Thomas, R. Mathew, Wang, Yihan, Zhang, Sen, Dodd, Rory, Liu, Shuangying, Xu, Rongsong, Xu, Yongjin, Miret, Juan J, Rivera, Victor, Clackson, Tim, Shakespeare, William C, Zhu, Xiaotian, Dalgarno, David C

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Structural basis for the binding of proline-rich peptides to SH3 domains von Yu, Hongtao, Chen, James K., Feng, Sibo, Dalgarno, David C., Brauer, Andrew W., Schrelber, Stuart L.

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Novel Protein Kinase Inhibitors: SMART Drug Design Technology von Sawyer, Tomi K, Bohacek, Regine S, III, Chester A. Metcalf, Shakespeare, William C, Wang, Yihan, Sundaramoorthi, Raji, Keenan, Terence, Narula, Surinder, Weigele, Manfred, Dalgarno, David C

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Predicting relative populations of protein conformations without a physics engine using AlphaFold2 von da Silva, Gabriel M., Cui, Jennifer Y., Dalgarno, David C., Lisi, George P., Rubenstein, Brenda M.

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Structural Analysis of DFG-in and DFG-out Dual Src-Abl Inhibitors Sharing a Common Vinyl Purine Template von Zhou, Tianjun, Commodore, Lois, Huang, Wei-Sheng, Wang, Yihan, Sawyer, Tomi K, Shakespeare, William C, Clackson, Tim, Zhu, Xiaotian, Dalgarno, David C

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Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR–ABL including the T315I gatekeeper mutant von Thomas, Mathew, Huang, Wei-Sheng, Wen, David, Zhu, Xiaotian, Wang, Yihan, Metcalf, Chester A., Liu, Shuangying, Chen, Ingrid, Romero, Jan, Zou, Dong, Sundaramoorthi, Raji, Li, Feng, Qi, Jiwei, Cai, Lisi, Zhou, Tianjun, Commodore, Lois, Xu, Qihong, Keats, Jeff, Wang, Frank, Wardwell, Scott, Ning, Yaoyu, Snodgrass, Joseph T., Broudy, Marc I., Russian, Karin, Iuliucci, John, Rivera, Victor M., Sawyer, Tomi K., Dalgarno, David C., Clackson, Tim, Shakespeare, William C.

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