Publication Beamlines Strategic Pillar
Rutbeek, Nicole R.; Rezasoltani, Hanieh; Patel, Trushar R.; Khajehpour, Mazdak; Prehna, Gerd et al. (2021). Molecular mechanism of quorum sensing inhibition in Streptococcus by the phage protein paratox. Journal of Biological Chemistry 297(3) , 100992. 10.1016/j.jbc.2021.100992. 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
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
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
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
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
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
Mao, Z.W.; Xia, W.; Tao, X. (2021). The crystal structure of SARS-CoV-2 3CLpro with Zinc. Protein Data Bank: 7d64. CMCF-BM, CMCF-ID Health
Sheriff, S. (2021). CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol. Protein Data Bank: 5s9r. CMCF-ID Health
Sheriff, S. (2021). CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol. Protein Data Bank: 7mce. CMCF-ID Health
Maben, Z.; Liu, W.; Mosyak, L.; Chaparro-Riggers, J. (2021). Crystal structure of the CD27:CD70 co-stimulatory complex. Protein Data Bank: 7kx0. 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
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
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