Publication Beamlines Strategic Pillar
Mendez, Alex; Bolling, Cydni; Taylor, Shane; Makumire, Stanley; Staker, Bart et al. (2025). Structure of Plasmodium vivax N-myristoyltransferase with inhibitor IMP-1088: exploring an NMT inhibitor for antimalarial therapy. Acta Crystallographica Section F:Structural Biology Communications 81(1) , 1-10. 10.1107/s2053230x24011348. [PDB: 5v0w] CMCF-ID Health
Shen, Poyen; Lavoie, Christian; Gall, Daniel (2025). Electron scattering at interfaces in Ru(0001)/Co(0001) multilayers. Journal of Applied Physics 137(2) . 10.1063/5.0241912. BXDS-WLE Materials
Cyr, Patrick; Fader, Lee D.; Burch, Jason D.; Pike, Kelly A.; Sietsema, Daniel V. et al. (2024). Discovery of Potent and Orally Bioavailable Pyrimidine Amide cGAS Inhibitors via Structure-Guided Hybridization. ACS Medicinal Chemistry Letters 15(12) , 2201-2209. 10.1021/acsmedchemlett.4c00471. [PDB: 9mdc] 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
Perez-Bermejo, Juan A.; Efagene, Oghene; Matern, William M.; Holden, Jeffrey K.; Kabir, Shaheen et al. (2024). Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair. Nature Communications 15(1) . 10.1038/s41467-024-46816-5. [PDB: 8svg, 8svh, 8svi] CMCF-ID Health
Poullennec, Karine G.; Jnoff, Eric; Abendroth, Jan; Bhuma, Naresh; Calmiano, Mark et al. (2024). Discovery of UCB9386: A Potent, Selective, and Brain-Penetrant Nuak1 Inhibitor Suitable for In Vivo Pharmacological Studies. Journal of Medicinal Chemistry 67(23) , 20879-20910. 10.1021/acs.jmedchem.4c01237. [PDB: 8uoj] CMCF-ID Health
Vu, Binh T.; Dominique, Romyr; Fahr, Bruce J.; Li, Hongju H.; Fry, David C. et al. (2024). Discovery of Rezatapopt (PC14586), a First-in-Class, Small-Molecule Reactivator of p53 Y220C Mutant in Development. ACS Medicinal Chemistry Letters . 10.1021/acsmedchemlett.4c00379. [PDB: 9br4] 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