Publication Beamlines Strategic Pillar
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
Stille, Julia K.; Tjutrins, Jevgenijs; Wang, Guanyu; Venegas, Felipe A.; Hennecker, Christopher et al. (2022). Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CLpro covalent inhibitors. European Journal of Medicinal Chemistry 229, 114046. 10.1016/j.ejmech.2021.114046. [PDB: 7mlf] CMCF-BM Health
Throner, Scott; Feng, Tianshu; Andersen, Jannik N.; Bandi, Madhavi; Engel, Justin L. et al. (2025). Discovery of TNG-6132, a potent, selective, and orally bioavailable USP1 inhibitor. Bioorganic and Medicinal Chemistry Letters 124, 130262. 10.1016/j.bmcl.2025.130262. [PDB: 9n9y] CMCF-BM 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
Tokareva, Olena S.; Li, Kunhua; Travaline, Tara L.; Thomson, Ty M.; Swiecicki, Jean-Marie et al. (2023). Recognition and reprogramming of E3 ubiquitin ligase surfaces by α-helical peptides. Nature Communications 14(1) . 10.1038/s41467-023-42395-z. [PDB: 8ei4] CMCF-BM 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
Tran, Norman; Redzic, Jasmina S.; Eisenmesser, Elan Z.; Holyoak, Todd (2025). The structure of the Gemella haemolysans M26 IgA1 protease trypsin-like domain. Acta Crystallographica Section F:Structural Biology Communications 81(4) . 10.1107/s2053230x25001219. [PDB: 9ect] CMCF-BM 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
Zhou, Yuebiao; Aliagas, Ignacio; Wang, Shumei; Li, Chun Sing; Liu, Zhiguo et al. (2024). Discovery of potent dihydro-oxazinoquinolinone inhibitors of GuaB for the treatment of tuberculosis. Bioorganic and Medicinal Chemistry Letters , 130026. 10.1016/j.bmcl.2024.130026. [PDB: 9dc8, 9dc9] CMCF-BM 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
Bailey-Elkin, Ben A.; Knaap, Robert C. M.; De Silva, Anuradha; Boekhoud, Ilse M.; Mous, Sandra et al. (2023). Demonstrating the importance of porcine reproductive and respiratory syndrome virus papain-like protease 2 deubiquitinating activity in viral replication by structure-guided mutagenesis. PLoS Pathogens 19(12) , e1011872. 10.1371/journal.ppat.1011872. [PDB: 8ehn] 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