Publication Beamlines Strategic Pillar
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
Stachel, Shawn J.; Ginnetti, Anthony T.; Johnson, Scott A.; Cramer, Paige; Wang, Yi et al. (2020). Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorganic and Medicinal Chemistry Letters 30(17) , 127403. 10.1016/j.bmcl.2020.127403. [PDB: 6x3l, 6x48] 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
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
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
Chong, Pek Y.; Shotwell, J. Brad; Miller, John; Price, Daniel J.; Maynard, Andy et al. (2019). Design of N-Benzoxaborole Benzofuran GSK8175—Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. Journal of Medicinal Chemistry 62(7) , 3254-3267. 10.1021/acs.jmedchem.8b01719. [PDB: 6mvo] 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
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
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
Rescourio, Gwenaella; Gonzalez, Ana Z.; Jabri, Salman; Belmontes, Brian; Moody, Gordon et al. (2019). Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an α-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. Journal of Medicinal Chemistry 62(22) , 10258-10271. 10.1021/acs.jmedchem.9b01310. [PDB: 6ud2, 6udi] CMCF-ID Health
Petrilli, Whitney L.; Adam, Gregory C.; Erdmann, Roman S.; Abeywickrema, Pravien; Agnani, Vijayalakshmi et al. (2020). From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chemical Biology 27(1) , 32-40. 10.1016/j.chembiol.2019.10.002. [PDB: 6u36] CMCF-ID Health
Tang, Aimin; Chen, Zhifeng; Cox, Kara S.; Su, Hua-Poo; Callahan, Cheryl et al. (2019). A potent broadly neutralizing human RSV antibody targets conserved site IV of the fusion glycoprotein. Nature Communications 10(1) . 10.1038/s41467-019-12137-1. [PDB: 6ous] CMCF-ID Health
Juvvadi, Praveen R.; Fox, David; Bobay, Benjamin G.; Hoy, Michael J.; Gobeil, Sophie M. C. et al. (2019). Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nature Communications 10(1) . 10.1038/s41467-019-12199-1. [PDB: 6tz7] 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
Jarvis, Thale C.; Davies, Douglas R.; Hisaminato, Akihiko; Resnicow, Daniel I.; Gupta, Shashi et al. (2015). Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor. Structure 23(7) , 1293-1304. 10.1016/j.str.2015.03.027. [PDB: 4zbn] CMCF-ID Health