Publication Beamlines Strategic Pillar
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
Callahan, Alex J.; Gandhesiri, Satish; Travaline, Tara L.; Lozano Salazar, Lia; Hanna, Stephanie et al. (2023). Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display. Environmental Science & Technology . 10.26434/chemrxiv-2023-x86xp. [PDB: 8f16, 8f17] CMCF-BM 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
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
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
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
Kalliokoski, Tuomo; Kettunen, Henna; Kumpulainen, Esa; Kettunen, Emilia; Thieulin-Pardo, Gabriel et al. (2023). Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening. Bioorganic and Medicinal Chemistry Letters 94, 129450. 10.1016/j.bmcl.2023.129450. [PDB: 8p1t, 8p1v] CMCF-ID Health
Michino, Mayako; Beautrait, Alexandre; Boyles, Nicholas A.; Nadupalli, Aparna; Dementiev, Alexey et al. (2023). Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors. ACS Bio and Med Chem Au 3(6) , 507-515. 10.1021/acsbiomedchemau.3c00046. [PDB: 8u0q] CMCF-ID Health
Smith, Christopher R.; Chen, Dan; Christensen, James G.; Coulombe, René; Féthière, James et al. (2023). Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. Journal of Medicinal Chemistry 67(1) , 774-781. 10.1021/acs.jmedchem.3c02140. [PDB: 8t5g, 8t5m, 8t5r] CMCF-BM, CMCF-ID Health
Toure, Momar; Johnson, Theresa; Li, Bin; Schmidt, Ralf; Ma, Hong et al. (2023). Discovery of quinazoline HPK1 inhibitors with high cellular potency. Bioorganic and Medicinal Chemistry 92, 117423. 10.1016/j.bmc.2023.117423. [PDB: 8cij] CMCF-BM 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
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
Li, Kunhua; Tokareva, Olena S.; Thomson, Ty M.; Wahl, Sebastian C. T.; Travaline, Tara L. et al. (2022). De novo mapping of α-helix recognition sites on protein surfaces using unbiased libraries. Proceedings of the National Academy of Sciences of the United States of America 119(52) . 10.1073/pnas.2210435119. [PDB: 7uwi] CMCF-ID Health
Li, Mingzong; Konteatis, Zenon; Nagaraja, Nelamangala; Chen, Yue; Zhou, Shubao et al. (2022). Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. Journal of Medicinal Chemistry 65(6) , 4600-4615. 10.1021/acs.jmedchem.1c01595. [PDB: 7rwg] CMCF-BM Health