Publication Beamlines Strategic Pillar
Beshore, Douglas C.; Adam, Gregory C.; Barnard, Richard J. O.; Burlein, Christine; Gallicchio, Steven N. et al. (2021). Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction. ACS Medicinal Chemistry Letters 12(4) , 540-547. 10.1021/acsmedchemlett.1c00074. [PDB: 7ltg] CMCF-ID
Davies, Christopher W.; Stowe, Irma; Phung, Qui T.; Ho, Hoangdung; Bakalarski, Corey E. et al. (2021). Discovery of a caspase cleavage motif antibody reveals insights into noncanonical inflammasome function. Proceedings of the National Academy of Sciences of the United States of America 118(12) , e2018024118. 10.1073/pnas.2018024118. [PDB: 7jwq] CMCF-ID
Deaton, David N.; Diaz, Elsie; Do, Young; Gampe, Robert T.; Guss, Jeffrey H. 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 , 128113. 10.1016/j.bmcl.2021.128113. [PDB: 7jr6] CMCF-ID
Dragovich, Peter S.; Pillow, Thomas H.; Blake, Robert A.; Sadowsky, Jack D.; Adaligil, Emel et al. (2021). Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.0c01846. [PDB: 7khl] CMCF-ID
Hu, Carol H.; Neissel Valente, Meriah W.; Scott Halpern, O.; Jusuf, Sutjano; Khan, Javed A. et al. (2021). Small Molecule and Macrocyclic Pyrazole Derived Inhibitors of Myeloperoxidase (MPO). Bioorganic and Medicinal Chemistry Letters , 128010. 10.1016/j.bmcl.2021.128010. [PDB: 7lag, 7lan] CMCF-ID
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 . 10.1021/acs.jmedchem.0c01491. [PDB: 6xog, 6xoh] CMCF-ID
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
Wigle, Tim; Ren, Yue; Molina, Jennifer R.; Blackwell, Danielle J.; Schenkel, Laurie B. et al. (2021). Targeted Degradation of PARP14 Using a Heterobifunctional Small Molecule. ChemBioChem . 10.1002/cbic.202100047. [PDB: 7l9y] CMCF-ID
Chen, Shuo; Wu, Jia-Le; Liang, Ying; Tang, Yi-Gang; Song, Hua-Xin et al. (2020). Arsenic Trioxide Rescues Structural p53 Mutations through a Cryptic Allosteric Site. Cancer Cell . 10.1016/j.ccell.2020.11.013. [PDB: 7dhz] CMCF-ID
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 . 10.1021/acschembio.0c00266. [PDB: 6zhc] CMCF-ID
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
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 (RORĪ³t) agonists. Bioorganic and Medicinal Chemistry Letters 30(12) , 127204. 10.1016/j.bmcl.2020.127204. [PDB: 6xae] CMCF-ID
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
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 . 10.1002/cmdc.202000007. [PDB: 6v8n] CMCF-ID
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