Publication Beamlines Strategic Pillar
Sit, Brandon; Crowley, Shauna M.; Bhullar, Kirandeep; Lai, Christine Chieh-Lin; Tang, Calvin et al. (2015). Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen. PLoS Pathogens 11(8) , e1005107. 10.1371/journal.ppat.1005107. [PDB: 4r72, 4r73] CMCF-ID Health
Siu, Tony; Brubaker, Jason; Fuller, Peter; Torres, Luis; Zeng, Hongbo et al. (2017). The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties. Journal of Medicinal Chemistry 60(23) , 9676-9690. 10.1021/acs.jmedchem.7b01135. [PDB: 5wo4] CMCF-ID Health
Sivaprakasam, Prasanna; Han, Xiaojun; Civiello, Rita L.; Jacutin-Porte, Swanee; Kish, Kevin et al. (2015). Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorganic and Medicinal Chemistry Letters 25(9) , 1856-1863. 10.1016/j.bmcl.2015.03.046. [PDB: 4ptc] CMCF-ID Health
Skovpen, Yulia V.; Conly, Cuylar J. T.; Sanders, David A. R.; Palmer, David R. J. (2016). Biomimetic Design Results in a Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase from Campylobacter jejuni. Journal of the American Chemical Society 138(6) , 2014-2020. 10.1021/jacs.5b12695. [PDB: 5f1u, 5f1v] 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
Smith, Peter A.; Koehler, Michael F. T.; Girgis, Hany S.; Yan, Donghong; Chen, Yongsheng et al. (2018). Optimized arylomycins are a new class of Gram-negative antibiotics. Nature 561(7722) , 189-194. 10.1038/s41586-018-0483-6. [PDB: 6b88] CMCF-ID Health
Sobhanifar, Solmaz; Worrall, Liam J.; King, Dustin T.; Wasney, Gregory A.; Baumann, Lars et al. (2016). Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid β-glycosyltransferase Involved in Methicillin Resistance. PLoS Pathogens 12(12) , e1006067. 10.1371/journal.ppat.1006067. [PDB: 5tzi, 5tzj, 5u02] 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
Stanger, Frédéric V.; de Beer, Tjaart A.P.; Dranow, David M.; Schirmer, Tilman; Phan, Isabelle et al. (2017). The BID Domain of Type IV Secretion Substrates Forms a Conserved Four-Helix Bundle Topped with a Hook. Structure 25(1) , 203-211. 10.1016/j.str.2016.10.010. [PDB: 4yk1] 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
Stöppler, Daniel; Macpherson, Alex; Smith-Penzel, Susanne; Basse, Nicolas; Lecomte, Fabien et al. (2018). Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR. PLoS Biology 16(5) , e2006192. 10.1371/journal.pbio.2006192. [PDB: 6c97, 6c98] CMCF-ID Health
Strushkevich, Natallia; Gilep, Andrei A.; Shen, Limin; Arrowsmith, Cheryl H.; Edwards, Aled M. et al. (2013). Structural Insights into Aldosterone Synthase Substrate Specificity and Targeted Inhibition. Molecular Endocrinology 27(2) , 315-324. 10.1210/me.2012-1287. [PDB: 4dvq] CMCF-ID Health