Publication Beamlines Strategic Pillar
Cole, Andrew G.; Kultgen, Steven G.; Mani, Nagraj; Quintero, Jorge G.; Yi Fan, Kristi et al. (2023). Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506. Bioorganic and Medicinal Chemistry Letters 94, 129456. 10.1016/j.bmcl.2023.129456. [PDB: 8gbu] 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
Dementiev, Alexey; Silva, Abel; Yee, Calvin; Li, Zhe; Flavin, Michael T. et al. (2018). Structures of human plasma β–factor XIIa cocrystallized with potent inhibitors. Blood advances 2(5) , 549-558. 10.1182/bloodadvances.2018016337. [PDB: 6b74] 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
Duan, James J.-W.; Lu, Zhonghui; Jiang, Bin; Stachura, Sylwia; Weigelt, Carolyn A. et al. (2019). Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active RORγt Inverse Agonists. ACS Medicinal Chemistry Letters 10(3) , 367-373. 10.1021/acsmedchemlett.9b00010. [PDB: 6nx1] CMCF-ID Health
Duclos, Franck; Abell, Lynn M.; Harden, David G.; Pike, Kristen; Nowak, Kimberly et al. (2017). Triazolopyrimidines identified as reversible myeloperoxidase inhibitors. MedChemComm 8(11) , 2093-2099. 10.1039/c7md00268h. [PDB: 5wdj] CMCF-ID Health
Duvall, Jeremy R.; Thomas, Joshua D.; Bukhalid, Raghida A.; Catcott, Kalli C.; Bentley, Keith W. et al. (2023). Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates. Journal of Medicinal Chemistry . 10.1021/acs.jmedchem.3c00907. [PDB: 8sth] CMCF-ID Health
Eastman, Kyle J.; Parcella, Kyle; Yeung, Kap-Sun; Grant-Young, Katharine A.; Zhu, Juliang et al. (2017). The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase. MedChemComm 8(4) , 796-806. 10.1039/c6md00636a. [PDB: 5twn] 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
Gassaway, Brandon M.; Cardone, Rebecca L.; Padyana, Anil K.; Petersen, Max C.; Judd, Evan T. et al. (2019). Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production. Cell Reports 29(11) , 3394-3404.e9. 10.1016/j.celrep.2019.11.009. [PDB: 6ech] 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
Gayda, Susan; Longenecker, Kenton L.; Judge, Russell A.; Swift, Kerry M.; Manoj, Sharmila et al. (2016). Three-dimensional structure, binding, and spectroscopic characteristics of the monoclonal antibody 43.1 directed to the carboxyphenyl moiety of fluorescein. Biopolymers 105(4) , 234-243. 10.1002/bip.22801. [PDB: 5dyo] CMCF-ID Health
Goedken, Eric R.; Argiriadi, Maria A.; Dietrich, Justin D.; Petros, Andrew M.; Krishnan, Navasona et al. (2022). Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Scientific Reports 12(1) . 10.1038/s41598-022-18760-1. [PDB: 8dyg] CMCF-ID Health
Gong, Hua; Weinstein, David S.; Lu, Zhonghui; Duan, James J.-W.; Stachura, Sylwia et al. (2018). Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (RORγ/RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorganic and Medicinal Chemistry Letters 28(2) , 85-93. 10.1016/j.bmcl.2017.12.006. [PDB: 6bns] CMCF-ID Health
Gui, Wenjun; Hang, Yumo; Cheng, Wang; Gao, Minqi; Wu, Jiaquan et al. (2023). Structural basis of CDK3 activation by cyclin E1 and inhibition by dinaciclib. Biochemical and Biophysical Research Communications 662, 126-134. 10.1016/j.bbrc.2023.04.026. CMCF-BM, CMCF-ID Health