Publication Beamlines Strategic Pillar
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
Sishi, Zhu; Bahig, Jumanah; Kalugin, Denis; Shoker, Ahmed; Zhu, Ning et al. (2023). Influence of clinical hemodialysis membrane morphology and chemistry on protein adsorption and inflammatory biomarkers released: In-situ synchrotron imaging, clinical and computational studies. Biomedical Engineering Advances 5, 100070. 10.1016/j.bea.2022.100070. BMIT-BM Health
Sirovica, Slobodan; Solheim, Johanne H.; Skoda, Maximilian W. A.; Hirschmugl, Carol J.; Mattson, Eric C. et al. (2020). Origin of micro-scale heterogeneity in polymerisation of photo-activated resin composites. Nature Communications 11(1) . 10.1038/s41467-020-15669-z. MID-IR 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
Sidhu, Navdeep S.; Delbaere, Louis T. J.; Sheldrick, George M. (2011). Structure of a highly NADP+-specific isocitrate dehydrogenase. Acta Crystallographica Section D Biological Crystallography 67(10) , 856-869. 10.1107/s0907444911028575. [PDB: 3mbc] CMCF-ID Health
Siarheyeva, Alena; Senisterra, Guillermo; Allali-Hassani, Abdellah; Dong, Aiping; Dobrovetsky, Elena et al. (2012). An Allosteric Inhibitor of Protein Arginine Methyltransferase 3. Structure 20(8) , 1425-1435. 10.1016/j.str.2012.06.001. [PDB: 3smq] CMCF-ID Health
Shurtleff, Valerie W.; Layton, Mark E.; Parish, Craig A.; Perkins, James J.; Schreier, John D. et al. (2024). Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.3c02248. [PDB: 8ute] CMCF-BM Health
Shniffer, Adin; Visschedyk, Danielle D.; Ravulapalli, Ravikiran; Suarez, Giovanni; Turgeon, Zachari J. et al. (2012). Characterization of an Actin-targeting ADP-ribosyltransferase from Aeromonas hydrophila. Journal of Biological Chemistry 287(44) , 37030-37041. 10.1074/jbc.m112.397612. [PDB: 4fml] CMCF-ID Health
Shi, Rong; Proteau, Ariane; Villarroya, Magda; Moukadiri, Ismaïl; Zhang, Linhua et al. (2010). Structural Basis for Fe–S Cluster Assembly and tRNA Thiolation Mediated by IscS Protein–Protein Interactions. PLoS Biology 8(4) , e1000354. 10.1371/journal.pbio.1000354. [PDB: 3lvl] CMCF-ID Health