Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING
Siu, Tony, Altman, Michael D, Baltus, Gretchen A, Childers, Matthew, Ellis, J. Michael, Gunaydin, Hakan, Hatch, Harold, Ho, Thu, Jewell, James, Lacey, Brian M, Lesburg, Charles A, Pan, Bo-Sheng, Sauvagnat, Berengere, Schroeder, Gottfried K, Xu, Serena
Published in ACS medicinal chemistry letters (10.01.2019)
Published in ACS medicinal chemistry letters (10.01.2019)
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Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors
Pu, Qinglin, Zhang, Hongjun, Guo, Liangqin, Cheng, Mangeng, Doty, Amy C, Ferguson, Heidi, Fradera, Xavier, Lesburg, Charles A, McGowan, Meredeth A, Miller, J. Richard, Geda, Prasanthi, Song, Xuelei, Otte, Karin, Sciammetta, Nunzio, Solban, Nicolas, Yu, Wensheng, Sloman, David L, Zhou, Hua, Lammens, Alfred, Neumann, Lars, Bennett, David Jonathan, Pasternak, Alexander, Han, Yongxin
Published in ACS medicinal chemistry letters (13.08.2020)
Published in ACS medicinal chemistry letters (13.08.2020)
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Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy
Zhang, Hongjun, Liu, Kun, Pu, Qinglin, Achab, Abdelghani, Ardolino, Michael J, Cheng, Mangeng, Deng, Yongqi, Doty, Amy C, Ferguson, Heidi, Fradera, Xavier, Knemeyer, Ian, Kurukulasuriya, Ravi, Lam, Yu-hong, Lesburg, Charles A, Martinot, Theodore A, McGowan, Meredeth A, Miller, J. Richard, Otte, Karin, Biju, Purakattle J, Sciammetta, Nunzio, Solban, Nicolas, Yu, Wensheng, Zhou, Hua, Wang, Xiao, Bennett, David Jonathan, Han, Yongxin
Published in ACS medicinal chemistry letters (14.11.2019)
Published in ACS medicinal chemistry letters (14.11.2019)
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Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase‑1 (IDO1)
White, Catherine, McGowan, Meredeth A, Zhou, Hua, Sciammetta, Nunzio, Fradera, Xavier, Lim, Jongwon, Joshi, Elizabeth M, Andrews, Christine, Nickbarg, Elliott B, Cowley, Phillip, Trewick, Sarah, Augustin, Martin, von Köenig, Konstanze, Lesburg, Charles A, Otte, Karin, Knemeyer, Ian, Woo, Hyun, Yu, Wensheng, Cheng, Mangeng, Spacciapoli, Peter, Geda, Prasanthi, Song, Xuelei, Smotrov, Nadya, Curran, Patrick, Heo, Mee Ra, Abeywickrema, Pravien, Miller, J. Richard, Bennett, David Jonathan, Han, Yongxin
Published in ACS medicinal chemistry letters (09.04.2020)
Published in ACS medicinal chemistry letters (09.04.2020)
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Evaluation of in vitro PXR-based assays and in silico modeling approaches for understanding the binding of a structurally diverse set of drugs to PXR
Xiao, Li, Nickbarg, Elliott, Wang, Wenyan, Thomas, Ann, Ziebell, Michael, Prosise, Winfred W., Lesburg, Charles A., Taremi, S. Shane, Gerlach, Valerie L., Le, Hung V., Cheng, K.-C.
Published in Biochemical pharmacology (01.03.2011)
Published in Biochemical pharmacology (01.03.2011)
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Journal Article
An orally available non-nucleotide STING agonist with antitumor activity
Pan, Bo-Sheng, Perera, Samanthi A, Piesvaux, Jennifer A, Presland, Jeremy P, Schroeder, Gottfried K, Cumming, Jared N, Trotter, B Wesley, Altman, Michael D, Buevich, Alexei V, Cash, Brandon, Cemerski, Saso, Chang, Wonsuk, Chen, Yiping, Dandliker, Peter J, Feng, Guo, Haidle, Andrew, Henderson, Timothy, Jewell, James, Kariv, Ilona, Knemeyer, Ian, Kopinja, Johnny, Lacey, Brian M, Laskey, Jason, Lesburg, Charles A, Liang, Rui, Long, Brian J, Lu, Min, Ma, Yanhong, Minnihan, Ellen C, O'Donnell, Greg, Otte, Ryan, Price, Laura, Rakhilina, Larissa, Sauvagnat, Berengere, Sharma, Sharad, Tyagarajan, Sriram, Woo, Hyun, Wyss, Daniel F, Xu, Serena, Bennett, David Jonathan, Addona, George H
Published in Science (American Association for the Advancement of Science) (21.08.2020)
Published in Science (American Association for the Advancement of Science) (21.08.2020)
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Crystal Structure of Pentalenene Synthase: Mechanistic Insights on Terpenoid Cyclization Reactions in Biology
Lesburg, Charles A., Zhai, Guangzhi, Cane, David E., Christianson, David W.
Published in Science (American Association for the Advancement of Science) (19.09.1997)
Published in Science (American Association for the Advancement of Science) (19.09.1997)
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Discovery of MK-1454: A Potent Cyclic Dinucleotide Stimulator of Interferon Genes Agonist for the Treatment of Cancer
Chang, Wonsuk, Altman, Michael D, Lesburg, Charles A, Perera, Samanthi A, Piesvaux, Jennifer A, Schroeder, Gottfried K, Wyss, Daniel F, Cemerski, Saso, Chen, Yiping, DiNunzio, Edward, Haidle, Andrew M, Ho, Thu, Kariv, Ilona, Knemeyer, Ian, Kopinja, Johnny E, Lacey, Brian M, Laskey, Jason, Lim, Jongwon, Long, Brian J, Ma, Yanhong, Maddess, Matthew L, Pan, Bo-Sheng, Presland, Jeremy P, Spooner, Edward, Steinhuebel, Dietrich, Truong, Quang, Zhang, Zhibo, Fu, Jianmin, Addona, George H, Northrup, Alan B, Parmee, Emma, Tata, James R, Bennett, David Jonathan, Cumming, Jared N, Siu, Tony, Trotter, B. Wesley
Published in Journal of medicinal chemistry (14.04.2022)
Published in Journal of medicinal chemistry (14.04.2022)
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S1423 RIPK2 Scaffolding Inhibitors are a Novel Approach to Block RIPK2 Signaling, a Hallmark of Inflammatory Bowel Disease
Wlodarska, Marta, Mbah, Nneka, Hoss, Florian, Meyer, Rosana, Próchnicki, Tomasz, Lu, Hanbin, McMillan, Elizabeth, VanHuis, Chad, Kölmel, Dominik, Sanchez, Brian, Lu, Xiaokang, Lesch, Chuck, Telling, Alissa, Kenny, Douglas J., Lacan, Isabelle, Lesburg, Charles A., Dales, Natalie, Patrick, Darryl, Sokolove, Jeremy, Opipari, Anthony, Franchi, Luigi
Published in The American journal of gastroenterology (01.10.2024)
Published in The American journal of gastroenterology (01.10.2024)
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XGen: Real-Space Fitting of Complex Ligand Conformational Ensembles to X‑ray Electron Density Maps
Jain, Ajay N, Cleves, Ann E, Brueckner, Alexander C, Lesburg, Charles A, Deng, Qiaolin, Sherer, Edward C, Reibarkh, Mikhail Y
Published in Journal of medicinal chemistry (24.09.2020)
Published in Journal of medicinal chemistry (24.09.2020)
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Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery
Yan, Xin Cindy, Sanders, John M, Gao, Ying-Duo, Tudor, Matthew, Haidle, Andrew M, Klein, Daniel J, Converso, Antonella, Lesburg, Charles A, Zang, Yi, Wood, Harold B
Published in Journal of chemical information and modeling (28.09.2020)
Published in Journal of chemical information and modeling (28.09.2020)
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Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors
Keylor, Mitchell H, Gulati, Anmol, Kattar, Solomon D, Johnson, Rebecca E, Chau, Ryan W, Margrey, Kaila A, Ardolino, Michael J, Zarate, Cayetana, Poremba, Kelsey E, Simov, Vladimir, Morriello, Gregori J, Acton, John J, Pio, Barbara, Yan, Xin, Palte, Rachel L, McMinn, Spencer E, Nogle, Lisa, Lesburg, Charles A, Adpressa, Donovon, Lin, Shishi, Neelamkavil, Santhosh, Liu, Ping, Su, Jing, Hegde, Laxminarayan G, Woodhouse, Janice D, Faltus, Robert, Xiong, Tina, Ciaccio, Paul J, Piesvaux, Jennifer, Otte, Karin M, Wood, Harold B, Kennedy, Matthew E, Bennett, David Jonathan, DiMauro, Erin F, Fell, Matthew J, Fuller, Peter H
Published in Journal of medicinal chemistry (13.01.2022)
Published in Journal of medicinal chemistry (13.01.2022)
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Conformational Strain of Macrocyclic Peptides in Ligand–Receptor Complexes Based on Advanced Refinement of Bound-State Conformers
Brueckner, Alexander C, Deng, Qiaolin, Cleves, Ann E, Lesburg, Charles A, Alvarez, Juan C, Reibarkh, Mikhail Y, Sherer, Edward C, Jain, Ajay N
Published in Journal of medicinal chemistry (25.03.2021)
Published in Journal of medicinal chemistry (25.03.2021)
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Discovery of IDO1 inhibitors containing a decahydroquinoline, decahydro-1,6-naphthyridine, or octahydro-1H-pyrrolo[3,2-c]pyridine scaffold
Yu, Wensheng, Deng, Yongqi, Sloman, David, Li, Derun, Liu, Kun, Fradera, Xavier, Lesburg, Charles A., Martinot, Theo, Doty, Amy, Ferguson, Heidi, Richard Miller, J., Knemeyer, Ian, Otte, Karin, Vincent, Stella, Sciammetta, Nunzio, Jonathan Bennett, David, Han, Yongxin
Published in Bioorganic & medicinal chemistry letters (01.10.2021)
Published in Bioorganic & medicinal chemistry letters (01.10.2021)
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Journal Article
Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing
Li, Derun, Sloman, David L, Achab, Abdelghani, Zhou, Hua, McGowan, Meredeth A, White, Catherine, Gibeau, Craig, Zhang, Hongjun, Pu, Qinglin, Bharathan, Indu, Hopkins, Brett, Liu, Kun, Ferguson, Heidi, Fradera, Xavier, Lesburg, Charles A, Martinot, Theodore A, Qi, Ji, Song, Zhiguo J, Yin, Jingjun, Zhang, Huangguang, Song, Licheng, Wan, Baoqiang, DAddio, Suzanne, Solban, Nicolas, Miller, J Richard, Zamlynny, Beata, Bass, Alan, Freeland, Elizabeth, Ykoruk, Bridget, Hilliard, Catherine, Ferraro, Jude, Zhai, Jin, Knemeyer, Ian, Otte, Karin M, Vincent, Stella, Sciammetta, Nunzio, Pasternak, Alexander, Bennett, David Jonathan, Han, Yongxin
Published in Journal of medicinal chemistry (28.04.2022)
Published in Journal of medicinal chemistry (28.04.2022)
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Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1‑Heteroaryl‑1H‑Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson’s Disease
Candito, David A., Simov, Vladimir, Gulati, Anmol, Kattar, Solomon, Chau, Ryan W., Lapointe, Blair T., Methot, Joey L., DeMong, Duane E., Graham, Thomas H., Kurukulasuriya, Ravi, Keylor, Mitchell H., Tong, Ling, Morriello, Gregori J., Acton, John J., Pio, Barbara, Liu, Weiguo, Scott, Jack D., Ardolino, Michael J., Martinot, Theodore A., Maddess, Matthew L., Yan, Xin, Gunaydin, Hakan, Palte, Rachel L., McMinn, Spencer E., Nogle, Lisa, Yu, Hongshi, Minnihan, Ellen C., Lesburg, Charles A., Liu, Ping, Su, Jing, Hegde, Laxminarayan G., Moy, Lily Y., Woodhouse, Janice D., Faltus, Robert, Xiong, Tina, Ciaccio, Paul, Piesvaux, Jennifer A., Otte, Karin M., Kennedy, Matthew E., Bennett, David Jonathan, DiMauro, Erin F., Fell, Matthew J., Neelamkavil, Santhosh, Wood, Harold B., Fuller, Peter H., Ellis, J. Michael
Published in Journal of medicinal chemistry (22.12.2022)
Published in Journal of medicinal chemistry (22.12.2022)
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Journal Article
Design of selective PI3Kδ inhibitors using an iterative scaffold-hopping workflow
Fradera, Xavier, Methot, Joey L., Achab, Abdelghani, Christopher, Matthew, Altman, Michael D., Zhou, Hua, McGowan, Meredeth A., Kattar, Sam D., Wilson, Kevin, Garcia, Yudith, Augustin, Martin A., Lesburg, Charles A., Shah, Sanjiv, Goldenblatt, Peter, Katz, Jason D.
Published in Bioorganic & medicinal chemistry letters (15.09.2019)
Published in Bioorganic & medicinal chemistry letters (15.09.2019)
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Journal Article
Identification of Potent Reverse Indazole Inhibitors for HPK1
Yu, Elsie C, Methot, Joey L, Fradera, Xavier, Lesburg, Charles A, Lacey, Brian M, Siliphaivanh, Phieng, Liu, Ping, Smith, Dustin M, Xu, Zangwei, Piesvaux, Jennifer A, Kawamura, Shuhei, Xu, Haiyan, Miller, J. Richard, Bittinger, Mark, Pasternak, Alexander
Published in ACS medicinal chemistry letters (11.03.2021)
Published in ACS medicinal chemistry letters (11.03.2021)
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Journal Article
Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3Kδ Immunomodulators
Methot, Joey L, Zhou, Hua, McGowan, Meredeth A, Anthony, Neville John, Christopher, Matthew, Garcia, Yudith, Achab, Abdelghani, Lipford, Kathryn, Trotter, Benjamin Wesley, Altman, Michael D, Fradera, Xavier, Lesburg, Charles A, Li, Chaomin, Alves, Stephen, Chappell, Craig P, Jain, Renu, Mangado, Ruban, Pinheiro, Elaine, Williams, Sybill M. G, Goldenblatt, Peter, Hill, Armetta, Shaffer, Lynsey, Chen, Dapeng, Tong, Vincent, McLeod, Robbie L, Lee, Hyun-Hee, Yu, Hongshi, Shah, Sanjiv, Katz, Jason D
Published in Journal of medicinal chemistry (22.04.2021)
Published in Journal of medicinal chemistry (22.04.2021)
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Journal Article
Discovery and optimization of heteroaryl piperazines as potent and selective PI3Kδ inhibitors
Zhou, Hua, McGowan, Meredeth A., Lipford, Kathryn, Christopher, Matthew, Fradera, Xavier, Witter, David, Lesburg, Charles A., Li, Chaomin, Methot, Joey L., Lampe, John, Achab, Abdelghani, Shaffer, Lynsey, Goldenblatt, Peter, Shah, Sanjiv, Bass, Alan, Schroeder, Gottfried, Chen, Dapeng, Zeng, Haoyu, Augustin, Martin A., Katz, Jason D.
Published in Bioorganic & medicinal chemistry letters (01.01.2020)
Published in Bioorganic & medicinal chemistry letters (01.01.2020)
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