Publication Beamlines Strategic Pillar
Simonetta, Kyle R.; Taygerly, Joshua; Boyle, Kathleen; Basham, Stephen E.; Padovani, Chris et al. (2019). Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nature Communications 10(1) , 1402. 10.1038/s41467-019-09358-9. [PDB: 6m91, 6m92, 6m93, 6m94] CMCF-ID Health
Smith, Bryan D.; Kaufman, Michael D.; Lu, Wei-Ping; Gupta, Anu; Leary, Cynthia B. et al. (2019). Ripretinib (DCC-2618) Is a Switch Control Kinase Inhibitor of a Broad Spectrum of Oncogenic and Drug-Resistant KIT and PDGFRA Variants. Cancer Cell 35(5) , 738-751.e9. 10.1016/j.ccell.2019.04.006. [PDB: 6mob] CMCF-ID Health
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
Sokaribo, Akosiererem; Novakovski, Brian A.A.; Cotelesage, Julien; White, Aaron P.; Sanders, David et al. (2020). Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants. Biochimica et Biophysica Acta - General Subjects 1864(4) , 129517. 10.1016/j.bbagen.2020.129517. [PDB: 6v2l, 6v2m, 6v2n] CMCF-BM, CMCF-ID Health
Spergel, Steven H.; Mertzman, Michael E.; Kempson, James; Guo, Junqing; Stachura, Sylwia et al. (2019). Discovery of a JAK1/3 Inhibitor and Use of a Prodrug To Demonstrate Efficacy in a Model of Rheumatoid Arthritis. ACS Medicinal Chemistry Letters 10(3) , 306-311. 10.1021/acsmedchemlett.8b00508. [PDB: 6ny4] CMCF-ID Health
Stachel, Shawn J.; Ginnetti, Anthony T.; Johnson, Scott A.; Cramer, Paige; Wang, Yi et al. (2020). Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorganic and Medicinal Chemistry Letters 30(17) , 127403. 10.1016/j.bmcl.2020.127403. [PDB: 6x3l, 6x48] CMCF-ID Health
Stirling, Alexander J.; Gilbert, Stephanie E.; Conner, Megan; Mallette, Evan; Kimber, Matthew S. et al. (2020). A Key Glycine in Bacterial Steroid-Degrading Acyl-CoA Dehydrogenases Allows Flavin-Ring Repositioning and Modulates Substrate Side Chain Specificity. Biochemistry 59(42) , 4081-4092. 10.1021/acs.biochem.0c00568. [PDB: 6wy8, 6wy9] CMCF-ID Health
Tang, Aimin; Chen, Zhifeng; Cox, Kara S.; Su, Hua-Poo; Callahan, Cheryl et al. (2019). A potent broadly neutralizing human RSV antibody targets conserved site IV of the fusion glycoprotein. Nature Communications 10(1) . 10.1038/s41467-019-12137-1. [PDB: 6ous] CMCF-ID Health
Tao, Xuan; Zhang, Lu; Du, Liubing; Lu, Kai; Zhao, Zhennan et al. (2022). Inhibition of SARS-CoV-2 replication by zinc gluconate in combination with hinokitiol. Journal of Inorganic Biochemistry 231, 111777. 10.1016/j.jinorgbio.2022.111777. CMCF-ID Health
Tarry, Michael J.; Harmel, Christoph; Taylor, James A.; Marczynski, Gregory T.; Schmeing, T. Martin et al. (2019). Structures of GapR reveal a central channel which could accommodate B-DNA. Scientific Reports 9(1) . 10.1038/s41598-019-52964-2. [PDB: 6ozx, 6ozy, 6ozz] CMCF-ID Health
Taylor, Alexander M.; Bailey, Chris; Belmont, Lisa D.; Campbell, Robert; Cantone, Nico et al. (2022). GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1. Journal of Medicinal Chemistry 65(16) , 11177-11186. 10.1021/acs.jmedchem.2c00662. [PDB: 7td9] CMCF-ID Health
Thai, Elaine; Murugan, Rajagopal; Binter, Špela; Burn Aschner, Clare; Prieto, Katherine et al. (2023). Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Reports 42(11) , 113330. 10.1016/j.celrep.2023.113330. [PDB: 8fb5] 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
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