Publication Beamlines Strategic Pillar
Kuduk, Scott D.; Stoops, Bart; Alexander, Richard; Lam, Angela M.; Espiritu, Christine et al. (2021). Identification of a new class of HBV capsid assembly modulator. Bioorganic and Medicinal Chemistry Letters 39, 127848. 10.1016/j.bmcl.2021.127848. [PDB: 7k5m] CMCF-ID Health
Kumar, Amit; Paul, Marilyn; Panda, Manoranjan; Jayaram, Shruthi; Kalidindi, Narasimharaju et al. (2021). Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3. Glycobiology 31(10) . 10.1093/glycob/cwab072. [PDB: 7cxa] CMCF-ID Health
Langston, Steven P.; Grossman, Stephen; England, Dylan; Afroze, Roushan; Bence, Neil et al. (2021). Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. Journal of Medicinal Chemistry 64(5) . 10.1021/acs.jmedchem.0c01491. [PDB: 6xog, 6xoh] CMCF-ID Health
Liu, Weifeng; Maben, Zachary; Wang, Carole; Lindquist, Kevin C.; Li, Manqing et al. (2021). Structural delineation and phase-dependent activation of the costimulatory CD27:CD70 complex. Journal of Biological Chemistry 297(4) , 101102. 10.1016/j.jbc.2021.101102. [PDB: 7kx0] CMCF-ID Health
Quiroz, Ryan V.; Reutershan, Michael H.; Schneider, Sebastian E.; Sloman, David; Lacey, Brian M. et al. (2021). The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer. Journal of Medicinal Chemistry 64(7) , 3911-3939. 10.1021/acs.jmedchem.0c02083. [PDB: 7kib] CMCF-ID Health
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
Wigle, Tim J.; Ren, Yue; Molina, Jennifer R.; Blackwell, Danielle J.; Schenkel, Laurie B. et al. (2021). Targeted Degradation of PARP14 Using a Heterobifunctional Small Molecule. ChemBioChem 22(12) . 10.1002/cbic.202100047. [PDB: 7l9y] CMCF-ID Health
Chung, Chun-wa; Dai, Han; Fernandez, Esther; Tinworth, Christopher P.; Churcher, Ian et al. (2020). Structural Insights into PROTAC-Mediated Degradation of Bcl-xL. ACS Chemical Biology 15(9) . 10.1021/acschembio.0c00266. [PDB: 6zhc] CMCF-ID Health
Ferri, Elena; Le Thomas, Adrien; Wallweber, Heidi Ackerly; Day, Eric S.; Walters, Benjamin T. et al. (2020). Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nature Communications 11(1) . 10.1038/s41467-020-19974-5. [PDB: 6w3b, 6w3c] CMCF-ID Health
Harikrishnan, Lalgudi S.; Gill, Patrice; Kamau, Muthoni G.; Qin, Lan-Ying; Ruan, Zheming et al. (2020). Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (RORγt) agonists. Bioorganic and Medicinal Chemistry Letters 30(12) , 127204. 10.1016/j.bmcl.2020.127204. [PDB: 6xae] CMCF-ID Health
Huhn, Annissa J.; Gardberg, Anna S.; Poy, Florence; Brucelle, Francois; Vivat, Valerie et al. (2020). Early Drug‐Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. ChemMedChem 15(11) . 10.1002/cmdc.202000007. [PDB: 6v8n] CMCF-ID Health
Hu, Zilun; Wang, Cailan; Glunz, Peter W.; Li, Julia; Cheadle, Nathan L. et al. (2020). Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies. Bioorganic and Medicinal Chemistry Letters 30(21) , 127495. 10.1016/j.bmcl.2020.127495. [PDB: 7jou] CMCF-ID Health
Liu, Jian; Yu, Younong; Kelly, Joseph; Sha, Deyou; Alhassan, Abdul-Basit et al. (2020). Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group. ACS Medicinal Chemistry Letters 11(12) , 2476-2483. 10.1021/acsmedchemlett.0c00462. [PDB: 7kbg] CMCF-ID Health
Mitcheltree, Matthew J.; Li, Derun; Achab, Abdelghani; Beard, Adam; Chakravarthy, Kalyan et al. (2020). Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. ACS Medicinal Chemistry Letters 11(4) , 582-588. 10.1021/acsmedchemlett.0c00058. [PDB: 6v7c] CMCF-ID Health
Palte, Rachel L.; Schneider, Sebastian E.; Altman, Michael D.; Hayes, Robert P.; Kawamura, Shuhei et al. (2020). Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5). ACS Medicinal Chemistry Letters 11(9) . 10.1021/acsmedchemlett.9b00525. [PDB: 6uxy] CMCF-ID Health