Publication Beamlines Strategic Pillar
Yeung, Kap-Sun; Beno, Brett R.; Parcella, Kyle; Bender, John A.; Grant-Young, Katherine A. et al. (2017). Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. Journal of Medicinal Chemistry 60(10) , 4369-4385. 10.1021/acs.jmedchem.7b00328. [PDB: 5pzp] CMCF-ID Health
Yeung, Kap-Sun; Beno, Brett R.; Mosure, Kathy; Zhu, Juliang; Grant-Young, Katherine A. et al. (2018). Structure–Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Medicinal Chemistry Letters 9(12) , 1217-1222. 10.1021/acsmedchemlett.8b00379. [PDB: 5qj0] CMCF-ID Health
Xiong, Yumei; Walker, Kenneth; Min, Xiaoshan; Hale, Clarence; Tran, Thanhvien et al. (2017). Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys. Science Translational Medicine 9(412) , eaan8732. 10.1126/scitranslmed.aan8732. [PDB: 5vt2] CMCF-ID Health
Wu, Yong-Jin; Guernon, Jason; Shi, Jianliang; Marcin, Lawrence; Higgins, Mendi et al. (2016). Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine β-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors. Journal of Medicinal Chemistry 59(18) , 8593-8600. 10.1021/acs.jmedchem.6b01012. [PDB: 5kr8] CMCF-ID Health
Wagner, Florence F.; Benajiba, Lina; Campbell, Arthur J.; Weïwer, Michel; Sacher, Joshua R. et al. (2018). Exploiting an Asp-Glu “switch” in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Science Translational Medicine 10(431) , eaam8460. 10.1126/scitranslmed.aam8460. [PDB: 5kpl, 5kpm] 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
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
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
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
Scapin, Giovanna; Yang, Xiaoyu; Prosise, Winifred W; McCoy, Mark; Reichert, Paul et al. (2015). Structure of full-length human anti-PD1 therapeutic IgG4 antibody pembrolizumab. Nature Structural and Molecular Biology 22(12) , 953-958. 10.1038/nsmb.3129. [PDB: 5dk3] CMCF-ID Health
Sakurada, Isao; Endo, Toshiya; Hikita, Katsuyoshi; Hirabayashi, Tomokazu; Hosaka, Yoshitaka et al. (2017). Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorganic and Medicinal Chemistry Letters 27(11) , 2622-2628. 10.1016/j.bmcl.2017.03.002. [PDB: 5tnt] CMCF-ID Health
Riggs, Jennifer R.; Nagy, Mark; Elsner, Jan; Erdman, Paul; Cashion, Dan et al. (2017). The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen. Journal of Medicinal Chemistry 60(21) , 8989-9002. 10.1021/acs.jmedchem.7b01223. [PDB: 6b4w] CMCF-ID Health
René, Olivier; Fauber, Benjamin P.; Boenig, Gladys de Leon; Burton, Brenda; Eidenschenk, Céline et al. (2014). Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action. ACS Medicinal Chemistry Letters 6(3) , 276-281. 10.1021/ml500420y. [PDB: 4wqp] CMCF-ID Health
Rai, Ganesha; Brimacombe, Kyle R.; Mott, Bryan T.; Urban, Daniel J.; Hu, Xin et al. (2017). Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). Journal of Medicinal Chemistry 60(22) , 9184-9204. 10.1021/acs.jmedchem.7b00941. [PDB: 5w8h, 5w8j] CMCF-ID Health
Qiu, Luping; Levine, Kymberly; Gajiwala, Ketan S.; Cronin, Ciarán N.; Nagata, Asako et al. (2018). Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers. PLoS ONE 13(6) , e0198374. 10.1371/journal.pone.0198374. [PDB: 6cz2, 6cz3] CMCF-ID Health