Publication Beamlines Strategic Pillar
Beshore, Douglas C.; Adam, Gregory C.; Barnard, Richard J. O.; Burlein, Christine; Gallicchio, Steven N. et al. (2021). Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction. ACS Medicinal Chemistry Letters 12(4) , 540-547. 10.1021/acsmedchemlett.1c00074. [PDB: 7ltg] CMCF-ID Health
Candito, David A.; Simov, Vladimir; Gulati, Anmol; Kattar, Solomon; Chau, Ryan W. et al. (2022). Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1H-Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson’s Disease. Journal of Medicinal Chemistry 65(24) , 16801-16817. 10.1021/acs.jmedchem.2c01605. [PDB: 8e80] CMCF-ID Health
Casimiro-Garcia, Agustin; Allais, Christophe; Brennan, Agnes; Choi, Chulho; Dower, Gabriela et al. (2021). Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. Journal of Medicinal Chemistry 65(1) , 757-784. 10.1021/acs.jmedchem.1c01849. [PDB: 7sly] CMCF-ID Health
Chen, Meixia; Wang, Zhuowen; Li, Weiguo; Chen, Yichang; Xiao, Qin et al. (2023). Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist. Biochimica et Biophysica Acta - Gene Regulatory Mechanisms 1866(3) , 194962. 10.1016/j.bbagrm.2023.194962. [PDB: 8jtn] CMCF-ID Health
Chen, Shuo; Wu, Jia-Le; Liang, Ying; Tang, Yi-Gang; Song, Hua-Xin et al. (2021). Arsenic Trioxide Rescues Structural p53 Mutations through a Cryptic Allosteric Site. Cancer Cell 39(2) . 10.1016/j.ccell.2020.11.013. [PDB: 7dhz] CMCF-ID Health
Chew, Kylie S.; Wells, Robert C.; Moshkforoush, Arash; Chan, Darren; Lechtenberg, Kendra J. et al. (2023). CD98hc is a target for brain delivery of biotherapeutics. Nature Communications 14(1) . 10.1038/s41467-023-40681-4. [PDB: 8g0m] CMCF-ID Health
Cole, Andrew G.; Kultgen, Steven G.; Mani, Nagraj; Quintero, Jorge G.; Yi Fan, Kristi et al. (2023). Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506. Bioorganic and Medicinal Chemistry Letters 94, 129456. 10.1016/j.bmcl.2023.129456. [PDB: 8gbu] CMCF-ID Health
Davies, Christopher W.; Stowe, Irma; Phung, Qui T.; Ho, Hoangdung; Bakalarski, Corey E. et al. (2021). Discovery of a caspase cleavage motif antibody reveals insights into noncanonical inflammasome function. Proceedings of the National Academy of Sciences of the United States of America 118(12) , e2018024118. 10.1073/pnas.2018024118. [PDB: 7jwq] CMCF-ID Health
Dragovich, Peter S.; Pillow, Thomas H.; Blake, Robert A.; Sadowsky, Jack D.; Adaligil, Emel et al. (2021). Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. Journal of Medicinal Chemistry 64(5) . 10.1021/acs.jmedchem.0c01846. [PDB: 7khl] CMCF-ID Health
Duvall, Jeremy R.; Thomas, Joshua D.; Bukhalid, Raghida A.; Catcott, Kalli C.; Bentley, Keith W. et al. (2023). Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.3c00907. [PDB: 8sth] CMCF-ID Health
Gavai, Ashvinikumar V.; Norris, Derek; Delucca, George; Tortolani, David; Tokarski, John S. et al. (2021). Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. Journal of Medicinal Chemistry 64(19) . 10.1021/acs.jmedchem.1c00625. [PDB: 5s9r] CMCF-ID Health
Goedken, Eric R.; Argiriadi, Maria A.; Dietrich, Justin D.; Petros, Andrew M.; Krishnan, Navasona et al. (2022). Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Scientific Reports 12(1) . 10.1038/s41598-022-18760-1. [PDB: 8dyg] CMCF-ID Health
Gui, Wenjun; Hang, Yumo; Cheng, Wang; Gao, Minqi; Wu, Jiaquan et al. (2023). Structural basis of CDK3 activation by cyclin E1 and inhibition by dinaciclib. Biochemical and Biophysical Research Communications 662, 126-134. 10.1016/j.bbrc.2023.04.026. CMCF-BM, CMCF-ID Health
He, Liqi; Zhang, Meng Yao; Cox, Matthew; Zhang, Qian; Donnell, Andrew F. et al. (2024). Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology. ACS Medicinal Chemistry Letters 15(2) , 189-196. 10.1021/acsmedchemlett.3c00456. [PDB: 8s9h] CMCF-ID Health
Hill, Matthew D.; Quesnelle, Claude; Tokarski, John; Fang, Haiquan; Fanslau, Carolynn et al. (2021). Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype. Bioorganic and Medicinal Chemistry Letters 51, 128376. 10.1016/j.bmcl.2021.128376. [PDB: 7mce] CMCF-ID Health