Publication Beamlines Strategic Pillar
Akaki, Tatsuo; Bessho, Yuki; Ito, Takashi; Fujioka, Shingo; Ubukata, Minoru et al. (2021). Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorganic and Medicinal Chemistry 44, 116283. 10.1016/j.bmc.2021.116283. [PDB: 7ebb] CMCF-ID Health
Ereño-Orbea, June; Liu, Xianglei; Sicard, Taylor; Kucharska, Iga; Li, Wei et al. (2021). Structural details of monoclonal antibody m971 recognition of the membrane-proximal domain of CD22. Journal of Biological Chemistry 297(2) , 100966. 10.1016/j.jbc.2021.100966. [PDB: 7o4y, 7o52] 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
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
Schenkel, Laurie B.; Molina, Jennifer R.; Swinger, Kerren K.; Abo, Ryan; Blackwell, Danielle J. et al. (2021). A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants. Cell Chemical Biology 28(8) . 10.1016/j.chembiol.2021.02.010. [PDB: 6we2] 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
Workman, Sean D.; Day, Jonathan; Farha, Maya A.; El Zahed, Sara S.; Bon, Chris et al. (2021). Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria. Journal of Medicinal Chemistry 64(18) , 13540–13550. 10.1021/acs.jmedchem.1c00941. [PDB: 7jli] CMCF-ID Health
Boniecki, M.T.; Cygler, M. (2021). Structure of the (NIAU)2 complex with N-terminal mutation of ISCU2 Y35D at 2.5 A resolution. Protein Data Bank: 7rtk. CMCF-ID Health
Ereno-Orbea, J.; Sicard, T.; Julien, J.P. (2021). CD22 d6-d7 in complex with Fab m971. Protein Data Bank: 7o52. CMCF-ID Health
Ereno-Orbea, J.; Sicard, T.; Julien, J.P. (2021). m971 Fab in complex with anti-Kappa VHH domain. Protein Data Bank: 7o4y. CMCF-ID Health
Guo, S.; Davies, P.L. (2021). Peptide-bound structure of Marinomonas primoryensis peptide-binding domain. Protein Data Bank: 6x5w. CMCF-ID Health
Guo, S.; Davies, P.L. (2021). Peptide-bound structure of Marinomonas primoryensis peptide-binding domain. Protein Data Bank: 6x5v. CMCF-ID Health
Guo, Y.; Dong, A.; Hou, F.; Li, Y.; Zhang, W. et al. (2021). Crystal structure of STAMBPL1 in complex with an engineered binder. Protein Data Bank: 7l97. 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, A. (2021). Structure of human Galectin-3 CRD in complex with TD-139 belonging to P31 space group.. Protein Data Bank: 7cxa. CMCF-ID Health