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
Shala, Agnesa; Patel, Kevin H.; Golemi-Kotra, Dasantila; Audette, Gerald F. (2013). Expression, purification, crystallization and preliminary X-ray analysis of the receiver domain ofStaphylococcus aureusLytR protein. Acta Crystallographica Section F Structural Biology and Crystallization Communications 69(12) , 1418-1421. 10.1107/s1744309113030972. CMCF-ID Health
Shaw, Alice T.; Friboulet, Luc; Leshchiner, Ignaty; Gainor, Justin F.; Bergqvist, Simon et al. (2016). Resensitization to Crizotinib by the LorlatinibALKResistance Mutation L1198F. New England Journal of Medicine 374(1) , 54-61. 10.1056/nejmoa1508887. [PDB: 5a9u, 5aac] 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
Shin, Youngsook; Suchomel, Julia; Cardozo, Mario; Duquette, Jason; He, Xiao et al. (2015). Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3Kδ Inhibitors. Journal of Medicinal Chemistry 59(1) , 431-447. 10.1021/acs.jmedchem.5b01651. [PDB: 5eds] 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
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, 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
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