Publication Beamlines Strategic Pillar
Nakhla, Mina C.; Comita, Janelle; Shapiro, Adam B.; Moussa, Samir H.; Chen, April et al. (2025). Small molecule inhibitors of mannan-binding lectin-associated serine Proteases-2 and-3. European Journal of Medicinal Chemistry 289, 117238. 10.1016/j.ejmech.2025.117238. [PDB: 9d17, 9d3y, 9d40, 9d4d] CMCF-ID Health
Petzold, Georg; Gainza, Pablo; Annunziato, Stefano; Lamberto, Ilaria; Trenh, Peter et al. (2025). Mining the CRBN target space redefines rules for molecular glue–induced neosubstrate recognition. Science 389(6755) . 10.1126/science.adt6736. [PDB: 9nfr] CMCF-ID Health
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
Wang, Mingyu; Du, Grace; Yongo‐Luwawa, Charity; Lu, Angelina; Kinrade, Brett et al. (2025). Peptide‐based ligand antagonists block a Vibrio cholerae adhesin. FEBS Letters . 10.1002/1873-3468.70231. [PDB: 9y9w, 9ybq] 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
Xiao, Qin; Wang, Yu; Shang, Xinci; Chen, Yichang; Zhang, Ming et al. (2026). Structural basis for sequence-specific DNA recognition by a group IId WRKY transcription factor GhWRKY17 in cotton. Biochemical Journal 483(2) , 149-160. 10.1042/bcj20250191. [PDB: 9m0k] CMCF-ID Agriculture
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
Barghash, Marim M.; Mabanglo, Mark F.; Hoff, Samuel E.; Brozdnychenko, Dmytro; Wong, Keith S. et al. (2025). Small molecule dysregulation of ClpP activity via bidirectional allosteric pathways. Structure . 10.1016/j.str.2025.07.013. [PDB: 9mjp] 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
Deschenes, Natalie M; Pérez-Vargas, Jimena; Zhong, Zoe; Thomas, Merrilee; Kenward, Calem et al. (2025). Functional and Structural Characterization of Treatment-Emergent Nirmatrelvir Resistance Mutations at Low Frequencies in the Main Protease (Mpro) Reveals a Unique Evolutionary Route for SARS-CoV-2 to Gain Resistance. Journal of Infectious Diseases . 10.1093/infdis/jiaf294. [PDB: 9pfh, 9pfi] CMCF-BM Health
Di Lello, Paola; Wells, Marta M.; Davis, Ben; Daniels, Zoe; Garner, Thomas P. et al. (2026). Targeting PTPN22 at Nonorthosteric Binding Sites─A Fragment Approach. ACS Omega . 10.1021/acsomega.5c11028. [PDB: 9yg0, 9yg1, 9yg3] CMCF-BM Health
Dodda, Leela S.; Campos, Sebastien; Ciccone, David; Carreiro, Samantha; Leit, Silvana et al. (2025). Knowledge and Structure-Based Drug Design of 15-PGDH Inhibitors. Journal of Medicinal Chemistry 68(17) , 18436-18462. 10.1021/acs.jmedchem.5c01231. [PDB: 9pfl] CMCF-BM Materials