Publication Beamlines Strategic Pillar
Schulte, Christie A.; Deaton, David N.; Diaz, Elsie; Do, Young; Gampe, Robert T. et al. (2021). A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorganic and Medicinal Chemistry Letters 47, 128113. 10.1016/j.bmcl.2021.128113. [PDB: 7jr6] CMCF-ID Health
Scott, William; Lowrance, Brian; Anderson, Alexander C.; Weadge, Joel T. (2020). Identification of the Clostridial cellulose synthase and characterization of the cognate glycosyl hydrolase, CcsZ. PLoS ONE 15(12) , e0242686. 10.1371/journal.pone.0242686. [PDB: 6uje, 6ujf] CMCF-ID Health
Sengupta, Shomit; Giaime, Emilie; Narayan, Sridhar; Hahm, Seung; Howell, Jessica et al. (2019). Discovery of NV-5138, the first selective Brain mTORC1 activator. Scientific Reports 9(1) , 4107. 10.1038/s41598-019-40693-5. [PDB: 6n0m] CMCF-ID Health
Shah, Megha; Taylor, Véronique L.; Bona, Diane; Tsao, Yvonne; Stanley, Sabrina Y. et al. (2021). A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa. Molecular Cell 81(3) , 571-583.e6. 10.1016/j.molcel.2020.12.011. [PDB: 6v7u, 6v7v] CMCF-ID Health
Shen, Yi; Wen, Yurong; Sposini, Silvia; Vishwanath, Anjali Amrapali; Abdelfattah, Ahmed S. et al. (2023). Rational Engineering of an Improved Genetically Encoded pH Sensor Based on Superecliptic pHluorin. ACS Sensors . 10.1021/acssensors.3c00484. [PDB: 7yv3, 7yv5] CMCF-ID Health
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