Publication Beamlines Strategic Pillar
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
Smith, Joel D.; Chih, Edwina; Piers, Warren E.; Spasyuk, Denis M. (2018). Tuning iridium (I) PCcarbeneP frameworks for facile cooperative N2O reduction. Polyhedron 155, 281-290. 10.1016/j.poly.2018.08.054. CMCF-BM Materials
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, 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, 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
Smirnova, Ekaterina; Kwan, Jamie J.; Siu, Ryan; Gao, Xin; Zoidl, Georg et al. (2016). A new mode of SAM domain mediated oligomerization observed in the CASKIN2 neuronal scaffolding protein. Cell Communication and Signaling 14(1) , 17. 10.1186/s12964-016-0140-3. [PDB: 5l1m] CMCF-BM 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
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
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
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
Singh, Sheo B.; Kaelin, David E.; Wu, Jin; Miesel, Lynn; Tan, Christopher M. et al. (2015). Tricyclic 1,5-naphthyridinone oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents-SAR of left-hand-side moiety (Part-2). Bioorganic and Medicinal Chemistry Letters 25(9) , 1831-1835. 10.1016/j.bmcl.2015.03.044. [PDB: 5bs3] CMCF-ID Health
Singh, Rahul; Grigg, Jason C.; Armstrong, Zachary; Murphy, Michael E.P.; Eltis, Lindsay D. et al. (2012). Distal Heme Pocket Residues of B-type Dye-decolorizing Peroxidase. Journal of Biological Chemistry 287(13) , 10623-10630. 10.1074/jbc.m111.332171. [PDB: 3vec, 3ved, 3vee, 3vef, 3veg] CMCF-BM Health
Singh, Anirudh K.; Pluvinage, Benjamin; Higgins, Melanie A.; Dalia, Ankur B.; Woodiga, Shireen A. et al. (2014). Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus pneumoniae β-galactosidase, BgaA. PLoS Pathogens 10(9) , e1004364. 10.1371/journal.ppat.1004364. [PDB: 4cu9, 4cua, 4cub, 4cuc] CMCF-BM, CMCF-ID Health
Singh, Anirudh K.; Pluvinage, Benjamin; Higgins, Melanie A.; Dalia, Ankur B.; Woodiga, Shireen A. et al. (2014). Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus pneumoniae β-galactosidase, BgaA. PLoS Pathogens 10(9) , e1004364. 10.1371/journal.ppat.1004364. [PDB: 4cu9, 4cua, 4cub, 4cuc] CMCF-BM, 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