EZH2 inhibition as a therapeutic strategy for lymphoma with EZH2-activating mutations
McCabe, Michael T., Ott, Heidi M., Ganji, Gopinath, Korenchuk, Susan, Thompson, Christine, Van Aller, Glenn S., Liu, Yan, Graves, Alan P., III, Anthony Della Pietra, Diaz, Elsie, LaFrance, Louis V., Mellinger, Mark, Duquenne, Celine, Tian, Xinrong, Kruger, Ryan G., McHugh, Charles F., Brandt, Martin, Miller, William H., Dhanak, Dashyant, Verma, Sharad K., Tummino, Peter J., Creasy, Caretha L.
Published in Nature (London) (06.12.2012)
Published in Nature (London) (06.12.2012)
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Mutation of A677 in histone methyltransferase EZH2 in human B-cell lymphoma promotes hypertrimethylation of histone H3 on lysine 27 (H3K27)
McCabe, Michael T, Graves, Alan P, Ganji, Gopinath, Diaz, Elsie, Halsey, Wendy S, Jiang, Yong, Smitheman, Kimberly N, Ott, Heidi M, Pappalardi, Melissa B, Allen, Kimberly E, Chen, Stephanie B, Della Pietra, Anthony III, Dul, Edward, Hughes, Ashley M, Gilbert, Seth A, Thrall, Sara H, Tummino, Peter J, Kruger, Ryan G, Brandt, Martin, Schwartz, Benjamin, Creasy, Caretha L
Published in Proceedings of the National Academy of Sciences - PNAS (21.02.2012)
Published in Proceedings of the National Academy of Sciences - PNAS (21.02.2012)
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Journal Article
GRAM: A True Null Model for Relative Binding Affinity Predictions
Cui, Guanglei, Graves, Alan P, Manas, Eric S
Published in Journal of chemical information and modeling (27.01.2020)
Published in Journal of chemical information and modeling (27.01.2020)
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Predicting Absolute Ligand Binding Free Energies to a Simple Model Site
Mobley, David L., Graves, Alan P., Chodera, John D., McReynolds, Andrea C., Shoichet, Brian K., Dill, Ken A.
Published in Journal of molecular biology (24.08.2007)
Published in Journal of molecular biology (24.08.2007)
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Journal Article
Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets
Van Aller, Glenn S., Graves, Alan P., Elkins, Patricia A., Bonnette, William G., McDevitt, Patrick J., Zappacosta, Francesca, Annan, Roland S., Dean, Tony W., Su, Dai-Shi, Carpenter, Christopher L., Mohammad, Helai P., Kruger, Ryan G.
Published in Structure (London) (03.05.2016)
Published in Structure (London) (03.05.2016)
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Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors
Wan, Shunzhou, Bhati, Agastya P., Wright, David W., Wall, Ian D., Graves, Alan P., Green, Darren, Coveney, Peter V.
Published in Journal of chemical information and modeling (23.05.2022)
Published in Journal of chemical information and modeling (23.05.2022)
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Journal Article
Discovery of GSK8612, a Highly Selective and Potent TBK1 Inhibitor
Thomson, Douglas W, Poeckel, Daniel, Zinn, Nico, Rau, Christina, Strohmer, Katrin, Wagner, Anne J, Graves, Alan P, Perrin, Jessica, Bantscheff, Marcus, Duempelfeld, Birgit, Kasparcova, Viera, Ramanjulu, Joshi M, Pesiridis, G. Scott, Muelbaier, Marcel, Bergamini, Giovanna
Published in ACS medicinal chemistry letters (09.05.2019)
Published in ACS medicinal chemistry letters (09.05.2019)
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Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening
Tian, Xinrong, Suarez, Dominic, Thomson, Douglas, Li, William, King, Elizabeth A., LaFrance, Louis, Boehm, Jeffrey, Barton, Linda, Di Marco, Christina, Martyr, Cuthbert, Thalji, Reema, Medina, Jesus, Knight, Steven, Heerding, Dirk, Gao, Enoch, Nartey, Eldridge, Cecconie, Ted, Nixon, Christopher, Zhang, Guofeng, Berrodin, Thomas J., Phelps, Christopher, Patel, Amish, Bai, Xiaopeng, Lind, Ken, Prabhu, Ninad, Messer, Jeffrey, Zhu, Zhengrong, Shewchuk, Lisa, Reid, Rob, Graves, Alan P., McHugh, Charles, Mangatt, Biju
Published in Journal of medicinal chemistry (10.11.2022)
Published in Journal of medicinal chemistry (10.11.2022)
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HLA-B57:01 Confers Susceptibility to Pazopanib-Associated Liver Injury in Patients with Cancer
Xu, Chun-Fang, Johnson, Toby, Wang, Xiaojing, Carpenter, Chris, Graves, Alan P, Warren, Liling, Xue, Zhengyu, King, Karen S, Fraser, Dana J, Stinnett, Sandy, Briley, Linda P, Mitrica, Ionel, Spraggs, Colin F, Nelson, Matthew R, Tada, Hiroomi, du Bois, Andreas, Powles, Thomas, Kaplowitz, Neil, Pandite, Lini N
Published in Clinical cancer research (15.03.2016)
Published in Clinical cancer research (15.03.2016)
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Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38α, and B‑Raf
Patterson, Jaclyn R, Graves, Alan P, Stoy, Patrick, Cheung, Mui, Desai, Tina A, Fries, Harvey, Gatto, Gregory J, Holt, Dennis A, Shewchuk, Lisa, Totoritis, Rachel, Wang, Liping, Kallander, Lara S
Published in Journal of medicinal chemistry (11.11.2021)
Published in Journal of medicinal chemistry (11.11.2021)
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Journal Article
4,6-Diaminopyrimidines as Highly Preferred Troponin I‑Interacting Kinase (TNNI3K) Inhibitors
Philp, Joanne, Lawhorn, Brian G, Graves, Alan P, Shewchuk, Lisa, Rivera, Katrina L, Jolivette, Larry J, Holt, Dennis A, Gatto, Gregory J, Kallander, Lara S
Published in Journal of medicinal chemistry (12.04.2018)
Published in Journal of medicinal chemistry (12.04.2018)
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Journal Article
Substituent Effects on Drug–Receptor H‑bond Interactions: Correlations Useful for the Design of Kinase Inhibitors
Lawhorn, Brian G, Philp, Joanne, Graves, Alan P, Holt, Dennis A, Gatto, Gregory J, Kallander, Lara S
Published in Journal of medicinal chemistry (08.12.2016)
Published in Journal of medicinal chemistry (08.12.2016)
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Journal Article
Inhibition of the cardiomyocyte-specific kinase TNNI3K limits oxidative stress, injury, and adverse remodeling in the ischemic heart
Vagnozzi, Ronald J, Gatto, Jr, Gregory J, Kallander, Lara S, Hoffman, Nicholas E, Mallilankaraman, Karthik, Ballard, Victoria L T, Lawhorn, Brian G, Stoy, Patrick, Philp, Joanne, Graves, Alan P, Naito, Yoshiro, Lepore, John J, Gao, Erhe, Madesh, Muniswamy, Force, Thomas
Published in Science translational medicine (16.10.2013)
Published in Science translational medicine (16.10.2013)
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Journal Article
A687V EZH2 is a driver of histone H3 lysine 27 (H3K27) hypertrimethylation
Ott, Heidi M, Graves, Alan P, Pappalardi, Melissa B, Huddleston, Michael, Halsey, Wendy S, Hughes, Ashley M, Groy, Arthur, Dul, Edward, Jiang, Yong, Bai, Yuchen, Annan, Roland, Verma, Sharad K, Knight, Steven D, Kruger, Ryan G, Dhanak, Dashyant, Schwartz, Benjamin, Tummino, Peter J, Creasy, Caretha L, McCabe, Michael T
Published in Molecular cancer therapeutics (01.12.2014)
Published in Molecular cancer therapeutics (01.12.2014)
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Journal Article
Identification of Purines and 7‑Deazapurines as Potent and Selective Type I Inhibitors of Troponin I‑Interacting Kinase (TNNI3K)
Lawhorn, Brian G, Philp, Joanne, Zhao, Yongdong, Louer, Christopher, Hammond, Marlys, Cheung, Mui, Fries, Harvey, Graves, Alan P, Shewchuk, Lisa, Wang, Liping, Cottom, Joshua E, Qi, Hongwei, Zhao, Huizhen, Totoritis, Rachel, Zhang, Guofeng, Schwartz, Benjamin, Li, Hu, Sweitzer, Sharon, Holt, Dennis A, Gatto, Gregory J, Kallander, Lara S
Published in Journal of medicinal chemistry (24.09.2015)
Published in Journal of medicinal chemistry (24.09.2015)
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Journal Article
A Perspective on Water Site Prediction Methods for Structure Based Drug Design
Graves, Alan P, Wall, Ian D, Edge, Colin M, Woolven, James M, Cui, Guanglei, Le Gall, Armelle, Hong, Xuan, Raha, Kaushik, Manas, Eric S
Published in Current topics in medicinal chemistry (01.01.2017)
Published in Current topics in medicinal chemistry (01.01.2017)
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Discovery of a crystalline sulforaphane analog with good solid-state stability and engagement of the Nrf2 pathway in vitro and in vivo
Boehm, Jeffrey, Davis, Roderick, Murar, Claudia E., Li, Tindy, McCleland, Brent, Dong, Shuping, Yan, Hongxing, Kerns, Jeffrey, Moody, Christopher J., Wilson, Anthony J., Graves, Alan P., Mentzer, Mary, Qi, Hongwei, Yonchuk, John, Kou, Jen-Pyng, Foley, Joseph, Sanchez, Yolanda, Podolin, Patricia L., Bolognese, Brian, Booth-Genthe, Catherine, Galop, Marc, Wolfe, Lawrence, Carr, Robin, Callahan, James F.
Published in Bioorganic & medicinal chemistry (15.02.2019)
Published in Bioorganic & medicinal chemistry (15.02.2019)
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