Publication Beamlines Strategic Pillar
Tong, Yunsong; Baker, Kenton A.; Chapman, Alex M.; Elsen, Nathaniel L.; Fowler, Faith et al. (2025). Validation, Key Pharmacophores, and X-ray Cocrystal Structures of Novel Biochemically and Cellularly Active WRN Inhibitors Derived from a DNA-Encoded Library Screen. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.4c03029. [PDB: 9og8] CMCF-ID Health
Vallée, Frédéric; Casás-Selves, Matias; Bubenik, Monica; Duplessis, Martin; Sow, Boubacar et al. (2025). Discovery of RP-1664: A First-in-Class Orally Bioavailable, Selective PLK4 Inhibitor. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.5c00529. [PDB: 9o63] CMCF-ID Health
Walker, Morgan E.; Zhu, Wei; Peterson, Janine H.; Wang, Hao; Patteson, Jon et al. (2025). Antibacterial macrocyclic peptides reveal a distinct mode of BamA inhibition. Nature Communications 16(1) . 10.1038/s41467-025-58086-w. [PDB: 9cs0, 9cs1] CMCF-ID Health
Weller, Caroline; Burnett, G. Leslie; Jiang, Lingyan; Chakraborty, Sujata; Zhang, Dongyu et al. (2025). A neomorphic protein interface catalyzes covalent inhibition of RAS G12D aspartic acid in tumors. Science 389(6758) . 10.1126/science.ads0239. [PDB: 9ct7, 9ct9, 9cta, 9ctb] CMCF-ID Health
Ye, Qilu; Eves, Robert; Vance, Tyler D. R.; Hansen, Thomas; Sage, Adam P. et al. (2025). Aeromonas hydrophila RTX adhesin has three ligand-binding domains that give the bacterium the potential to adhere to and aggregate a wide variety of cell types. mBio 16(5) . 10.1128/mbio.03158-24. [PDB: 9cse] CMCF-ID Health
Adachi, Kaoru; Manabe, Tomoyuki; Yamasaki, Takayuki; Suma, Akira; Orita, Takuya et al. (2024). Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorganic and Medicinal Chemistry Letters 110, 129864. 10.1016/j.bmcl.2024.129864. [PDB: 8zh4] CMCF-ID Health
Aguilar, Eric N.; Sagar, Satish; Murray, Brandy R.; Rajesh, Christabelle; Lei, Eric K. et al. (2024). Structural Basis for Multivalent MUC16 Recognition and Robust Anti-Pancreatic Cancer Activity of Humanized Antibody AR9.6. Molecular Cancer Therapeutics 23(6) , 836-853. 10.1158/1535-7163.mct-23-0868. [PDB: 8gkk, 8gkl] CMCF-ID Health
Ali, Mohamed G.; Wahba, Haytham M.; Igelmann, Sebastian; Cyr, Normand; Ferbeyre, Gerardo et al. (2024). Structural and functional characterization of the role of acetylation on the interactions of the human Atg8-family proteins with the autophagy receptor TP53INP2/DOR. Autophagy . 10.1080/15548627.2024.2353443. [PDB: 8t33, 8t4t] CMCF-BM, CMCF-ID Health
Asar, Radwa; Dhindwal, Poonam; Ruzzini, Antonio (2024). Structural and functional analysis of a bile salt hydrolase from the bison microbiome. Journal of Biological Chemistry 300(10) , 107769. 10.1016/j.jbc.2024.107769. [PDB: 8vrx] CMCF-ID Health
Bissegger, Lukas; Constantin, Theodora A.; Keles, Erhan; Raguž, Luka; Barlow-Busch, Isobel et al. (2024). Rapid, potent, and persistent covalent chemical probes to deconvolute PI3Kα signaling. Chemical Science . 10.1039/d4sc05459h. [PDB: 8twy] CMCF-ID Health
Cottrell, Kevin M.; Briggs, Kimberly J.; Whittington, Douglas A.; Jahic, Haris; Ali, Janid A. et al. (2024). Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP-Deleted Cancers. Journal of Medicinal Chemistry 67(8) , 6064-6080. 10.1021/acs.jmedchem.4c00133. [PDB: 8veu] CMCF-ID Health
Cummer, Rebecca; Grosjean, Félix; Bolteau, Raphaël; Vasegh, Seyed Ehsan; Veyron, Simon et al. (2024). Structure-activity relationship of inositol thiophosphate analogs as allosteric activators of Clostridioides difficile toxin B. Applied Spectroscopy Reviews . 10.26434/chemrxiv-2024-2cf6g-v2. [PDB: 9bja] CMCF-ID Health
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
Daniel-Ivad, Phillip; Ryan, Katherine S. (2024). An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine. Journal of Biological Chemistry , 105642. 10.1016/j.jbc.2024.105642. CMCF-ID Health
Després, Philippe C.; Dubé, Alexandre K.; Picard, Marie-Ève; Grenier, Jordan; Shi, Rong et al. (2024). Compensatory mutations potentiate constructive neutral evolution by gene duplication. Science 385(6710) , 770-775. 10.1126/science.ado5719. [PDB: 8vll, 8vlm] CMCF-BM, CMCF-ID Health