Publication Beamlines Strategic Pillar
Puumala, Emily; Sychantha, David; Lach, Elizabeth; Reeves, Shawn; Nabeela, Sunna et al. (2024). Allosteric inhibition of tRNA synthetase Gln4 by N-pyrimidinyl-β-thiophenylacrylamides exerts highly selective antifungal activity. Cell Chemical Biology . 10.1016/j.chembiol.2024.01.010. [PDB: 8uk6] CMCF-ID Health
Sauvé, Véronique; Stefan, Eric; Croteau, Nathalie; Goiran, Thomas; Fakih, Rayan et al. (2024). Activation of parkin by a molecular glue. Nature Communications 15(1) . 10.1038/s41467-024-51889-3. [PDB: 8w31] CMCF-ID Health
Schroeter, Kurt L.; Rolfe, Nicolas; Forrester, Taylor J.B.; Kimber, Matthew S.; Seah, Stephen Y.K. et al. (2024). Shy is a proteobacterial steroid hydratase which catalyzes steroid side chain degradation without requiring a catalytically inert partner domain. Journal of Biological Chemistry 300(8) , 107509. 10.1016/j.jbc.2024.107509. [PDB: 8vwr] CMCF-ID Health
Tian, Yuqing; Worrall, Liam J.; Sim, Lyann; Liu, Feng; Nasseri, Seyed A. et al. (2024). Cobalt as a Cofactor for α-Galactosaminidase-Catalyzed Cleavage of Blood Group Antigens. ACS Catalysis 14(17) , 13497-13508. 10.1021/acscatal.4c03643. [PDB: 9awt, 9ay8, 9ayu] CMCF-BM, 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
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
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
Xu, Shangyi; Grochulski, Pawel; Tanaka, Takuji (2024). Structural basis for the allosteric behaviour and substrate specificity of Lactococcus lactis Prolidase. Biochimica et Biophysica Acta - Proteins and Proteomics 1872(3) , 141000. 10.1016/j.bbapap.2024.141000. CMCF-BM, 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
Zheng, Xiaozhang; Ji, Nan; Campbell, Veronica; Slavin, Anthony; Zhu, Xiao et al. (2024). Discovery of KT-474─a Potent, Selective, and Orally Bioavailable IRAK4 Degrader for the Treatment of Autoimmune Diseases. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.4c01305. [PDB: 9cuo] CMCF-ID Health
Zhu, Yuao; Yurgelonis, Irina; Noell, Stephen; Yang, Qingyi; Guan, Shunjie et al. (2024). In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Science Advances 10(30) . 10.1126/sciadv.adl4013. [PDB: 9aum] 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
Bon, Christopher G.; Grigg, Jason C.; Lee, Jaeyong; Robb, Craig S.; Caveney, Nathanael A. et al. (2024). Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1. Journal of Structural Biology 216(2) , 108086. 10.1016/j.jsb.2024.108086. [PDB: 8vbt, 8vbv, 8vbw] CMCF-BM Health
Colussi, Danielle M.; Grainger, Ryan; Noble, Megan; Lake, Taylor; Junop, Murray et al. (2025). Disrupting the network of co-evolving amino terminal domain residues relieves mitochondrial calcium uptake inhibition by MCUb. Computational and Structural Biotechnology Journal 27, 190-213. 10.1016/j.csbj.2024.12.007. [PDB: 8urg] CMCF-BM Health
Cottrell, Kevin M.; Briggs, Kimberly J.; Tsai, Alice; Tonini, Matthew R.; Whittington, Douglas A. et al. (2025). Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion. Journal of Medicinal Chemistry 68(5) , 5097-5119. 10.1021/acs.jmedchem.4c03067. [PDB: 9n3o] CMCF-BM Health