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 Health
Casimiro-Garcia, Agustin; Allais, Christophe; Brennan, Agnes; Choi, Chulho; Dower, Gabriela et al. (2021). Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. Journal of Medicinal Chemistry 65(1) , 757-784. 10.1021/acs.jmedchem.1c01849. [PDB: 7sly] CMCF-ID Health
Chen, Shuo; Wu, Jia-Le; Liang, Ying; Tang, Yi-Gang; Song, Hua-Xin et al. (2021). Arsenic Trioxide Rescues Structural p53 Mutations through a Cryptic Allosteric Site. Cancer Cell 39(2) . 10.1016/j.ccell.2020.11.013. [PDB: 7dhz] CMCF-ID Health
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 Health
Dorsey, B.W.; Swinger, K.K.; Schenkel, L.B.; Church, W.D.; Perl, N.R. et al. (2021). Human PARP14 (ARTD8), catalytic fragment in complex with RBN012042. Protein Data Bank: 7l9y. CMCF-ID Health
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 64(5) . 10.1021/acs.jmedchem.0c01846. [PDB: 7khl] CMCF-ID Health
Gavai, Ashvinikumar V.; Norris, Derek; Delucca, George; Tortolani, David; Tokarski, John S. et al. (2021). Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. Journal of Medicinal Chemistry 64(19) . 10.1021/acs.jmedchem.1c00625. [PDB: 5s9r] CMCF-ID Health
Hill, Matthew D.; Quesnelle, Claude; Tokarski, John; Fang, Haiquan; Fanslau, Carolynn et al. (2021). Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype. Bioorganic and Medicinal Chemistry Letters 51, 128376. 10.1016/j.bmcl.2021.128376. [PDB: 7mce] CMCF-ID Health
Hu, Carol H.; Neissel Valente, Meriah W.; Halpern, O. Scott; Jusuf, Sutjano; Khan, Javed A. et al. (2021). Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO). Bioorganic and Medicinal Chemistry Letters 42, 128010. 10.1016/j.bmcl.2021.128010. [PDB: 7lag, 7lan] CMCF-ID Health
Keylor, Mitchell H.; Gulati, Anmol; Kattar, Solomon D.; Johnson, Rebecca E.; Chau, Ryan W. et al. (2021). Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. Journal of Medicinal Chemistry 65(1) , 838-856. 10.1021/acs.jmedchem.1c01968. [PDB: 7suh] CMCF-ID Health
Klein, D.J.; Beshore, D.C. (2021). STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH APICIDIN. Protein Data Bank: 7ltg. CMCF-ID Health
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
Kuduk, S.D.; Stoops, B.; Alexander, R.; Lam, A.M.; Espiritu, C. et al. (2021). CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION. Protein Data Bank: 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