Discovery of (2 R ,4 R )-4-(( S )-2-Amino-3-methylbutanamido)-2-(4-boronobutyl)pyrrolidine-2-carboxylic Acid (AZD0011), an Actively Transported Prodrug of a Potent Arginase Inhibit... von Mlynarski, Scott N, Aquila, Brian M, Cantin, Susan, Cook, Steve, Doshi, Aatman, Finlay, M Raymond V, Gangl, Eric T, Grebe, Tyler, Gu, Chungang, Kawatkar, Sameer P, Petersen, Jens, Pop-Damkov, Petar, Schuller, Alwin G, Shao, Wenlin, Shields, Jason D, Simpson, Iain, Tavakoli, Siavash, Tentarelli, Sharon, Throner, Scott, Wang, Haixia, Wang, Jianyan, Wu, Dedong, Ye, Qing

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Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase von Bagal, Sharan K, Gregson, Clare, O’ Donovan, Daniel H, Pike, Kurt G, Bloecher, Andrew, Barton, Peter, Borodovsky, Alexandra, Code, Erin, Fillery, Shaun M, Hsu, Jessie Hao-Ru, Kawatkar, Sameer P, Li, Chengzhi, Longmire, David, Nai, Youfeng, Nash, Samuel C, Pike, Andrew, Robinson, James, Read, Jon A, Rawlins, Phillip B, Shen, Minhui, Tang, Jia, Wang, Peng, Woods, Haley, Williamson, Beth

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Stereoselective Glycosylations of 2-Azido-2-deoxy-glucosides Using Intermediate Sulfonium Ions von Park, Jin, Kawatkar, Sameer, Kim, Jin-Hwan, Boons, Geert-Jan

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Identification of a novel series of azabenzimidazole-derived inhibitors of spleen tyrosine kinase von Kawatkar, Sameer P., Barlaam, Bernard, Kemmitt, Paul, Simpson, Iain, Watson, David, Wang, Peng, Lamont, Scott, Su, Qibin, Boiko, Scott, Ikeda, Timothy, Patel, Joe, Pike, Andy, Pollard, Hannah, Read, Jon, Sarkar, Ujjal, Wang, Haiyun, Wen, Quanshan, Yan, Zhiyuan, Dowling, James E., Dry, Hannah, Edmondson, Scott D.

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Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase: Structure–Activity Relationships and Chiral Preference of a New Hydrophobic Binding Region von Kawatkar, Sameer P, Keating, Thomas A, Olivier, Nelson B, Breen, John N, Green, Oluyinka M, Guler, Satenig Y, Hentemann, Martin F, Loch, James T, McKenzie, Andrew R, Newman, Joseph V, Otterson, Linda G, Martínez-Botella, Gabriel

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Rapid Identification of Novel Allosteric PRC2 Inhibitors von Read, Jon A, Tart, Jonathan, Rawlins, Philip B, Gregson, Clare, Jones, Karen, Gao, Ning, Zhu, Xiahui, Tomlinson, Ron, Code, Erin, Cheung, Tony, Chen, Huawei, Kawatkar, Sameer P, Bloecher, Andy, Bagal, Sharan, O’Donovan, Daniel H, Robinson, James

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Computational analysis of the structural mechanism of inhibition of chemokine receptor CXCR4 by small molecule antagonists von Kawatkar, Sameer P, Yan, Maocai, Gevariya, Harsukh, Lim, Mi Youn, Eisold, Steven, Zhu, Xuejun, Huang, Ziwei, An, Jing

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Abstract 979: Discovery of the JAK1 selective kinase inhibitor AZD4205 von Kettle, Jason G., Su, Qibin, Grimster, Neil, Kawatkar, Sameer, Throner, Scott, Woessner, Richard, Chen, Huawei, Bebernitz, Geraldine, Bell, Kristen, Anderson, Erica, Ruston, Linette, Winter-Holt, Jon, Lyne, Paul, Vasbinder, Melissa, Chuaqui, Claudio

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Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK) von Martínez-Botella, Gabriel, Loch, James T., Green, Oluyinka M., Kawatkar, Sameer P., Olivier, Nelson B., Boriack-Sjodin, P. Ann, Keating, Thomas A.

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Structural Basis of the Inhibition of Golgi α-Mannosidase II by Mannostatin A and the Role of the Thiomethyl Moiety in Ligand−Protein Interactions von Kawatkar, Sameer P, Kuntz, Douglas A, Woods, Robert J, Rose, David R, Boons, Geert-Jan

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Practical Approach for the Stereoselective Introduction of β-Arabinofuranosides von Zhu, Xiangming, Kawatkar, Sameer, Rao, Yu, Boons, Geert-Jan

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Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide von Kawatkar, Sameer, Wang, Hongming, Czerminski, Ryszard, Joseph-McCarthy, Diane

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Crystal Structure and Structural Mechanism of a Novel Anti-Human Immunodeficiency Virus and d-Amino Acid-Containing Chemokine von Liu, Dongxiang, Madani, Navid, Li, Ying, Cao, Rong, Choi, Won-Tak, Kawatkar, Sameer P, Lim, Mi Youn, Kumar, Santosh, Dong, Chang-Zhi, Wang, Jun, Russell, Julie D, Lefebure, Caroline R, An, Jing, Wilson, Scott, Gao, Yi-Gui, Pallansch, Luke A, Sodroski, Joseph G, Huang, Ziwei

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Cycloaromatization of 1,4-Pentadiynes:  A Viable Possibility? von Kawatkar, Sameer P, Schreiner, Peter R

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EED-Targeted PROTACs Degrade EED, EZH2, and SUZ12 in the PRC2 Complex von Hsu, Jessie Hao-Ru, Rasmusson, Timothy, Robinson, James, Pachl, Fiona, Read, Jon, Kawatkar, Sameer, O’ Donovan, Daniel H., Bagal, Sharan, Code, Erin, Rawlins, Philip, Argyrou, Argyrides, Tomlinson, Ronald, Gao, Ning, Zhu, Xiahui, Chiarparin, Elisabetta, Jacques, Kelly, Shen, Minhui, Woods, Haley, Bednarski, Emma, Wilson, David M., Drew, Lisa, Castaldi, M. Paola, Fawell, Stephen, Bloecher, Andrew

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Virtual fragment screening: exploration of MM-PBSA re-scoring von Kawatkar, Sameer, Moustakas, Demetri, Miller, Matthew, Joseph-McCarthy, Diane

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Inhibition of Golgi Mannosidase II with Mannostatin A Analogues: Synthesis, Biological Evaluation, and Structure-Activity Relationship Studies von Li, Bing, Kawatkar, Sameer P, George, Shaji, Strachan, Heather, Woods, Robert J, Siriwardena, Aloysius, Moremen, Kelley W, Boons, Geert-Jan

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Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)–MYC Interaction von Ding, Jian, Liu, Lulu, Chiang, Ying-Ling, Zhao, Mengxi, Liu, Hejun, Yang, Fei, Shen, Lingling, Lin, Ying, Deng, Huiwen, Gao, Jingyan, Sage, David R., West, Laura, Llamas, Luis A., Hao, Xin, Kawatkar, Sameer, Li, En, Jain, Rishi K., Tallarico, John A., Canham, Stephen M., Wang, He

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Discovery of (2R)‑N‑[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]‑1H‑indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kin... von Su, Qibin, Banks, Erica, Bebernitz, Geraldine, Bell, Kirsten, Borenstein, Cassandra F, Chen, Huawei, Chuaqui, Claudio E, Deng, Nanhua, Ferguson, Andrew D, Kawatkar, Sameer, Grimster, Neil P, Ruston, Linette, Lyne, Paul D, Read, Jon A, Peng, Xianyou, Pei, Xiaohui, Fawell, Stephen, Tang, Zhanlei, Throner, Scott, Vasbinder, Melissa M, Wang, Haoyu, Winter-Holt, Jon, Woessner, Richard, Wu, Allan, Yang, Wenzhan, Zinda, Michael, Kettle, Jason G

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Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase von O' Donovan, Daniel H., Gregson, Clare, Packer, Martin J., Greenwood, Ryan, Pike, Kurt G., Kawatkar, Sameer, Bloecher, Andrew, Robinson, James, Read, Jon, Code, Erin, Hsu, Jessie Hao-Ru, Shen, Minhui, Woods, Haley, Barton, Peter, Fillery, Shaun, Williamson, Beth, Rawlins, Philip B., Bagal, Sharan K.

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