Publication Beamlines Strategic Pillar
Ulaganathan, ThirumalaiSelvi; Helbert, William; Kopel, Moran; Banin, Ehud; Cygler, Miroslaw et al. (2018). Structure–function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism. Journal of Biological Chemistry 293(11) , 4026-4036. 10.1074/jbc.ra117.001642. [PDB: 6byp, 6byt, 6byx] CMCF-BM, CMCF-ID Health
Rai, Ganesha; Brimacombe, Kyle R.; Mott, Bryan T.; Urban, Daniel J.; Hu, Xin et al. (2017). Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). Journal of Medicinal Chemistry 60(22) , 9184-9204. 10.1021/acs.jmedchem.7b00941. [PDB: 5w8h, 5w8j] CMCF-ID Health
Gorelik, Alexei; Illes, Katalin; Nagar, Bhushan (2018). Crystal structure of the mammalian lipopolysaccharide detoxifier. Proceedings of the National Academy of Sciences of the United States of America 115(5) , E896-E905. 10.1073/pnas.1719834115. [PDB: 5w78, 5w7a, 5w7b, 5w7c, 5w7d, 5w7e, 5w7f] CMCF-ID Health
Triller, Gianna; Scally, Stephen W.; Costa, Giulia; Pissarev, Maria; Kreschel, Cornelia et al. (2017). Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies. Immunity 47(6) , 1197-1209.e10. 10.1016/j.immuni.2017.11.007. [PDB: 5bk0, 5bk3, 5bk5, 6azm, 6azx] 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
Lyons, Bronwyn; Lugo, Miguel R.; Carlin, Stephanie; Lidster, Taylor; Merrill, A. Rod et al. (2018). Characterization of the catalytic signature of Scabin toxin, a DNA-targeting ADP-ribosyltransferase. Biochemical Journal 475(1) , 225-245. 10.1042/bcj20170818. [PDB: 5tlb, 5uvq, 6apy] CMCF-ID Health
Picard, Marie-Ève; Nisole, Audrey; Béliveau, Catherine; Sen, Stephanie; Barbar, Aline et al. (2018). Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana : Implications for inhibitor design. Insect Biochemistry and Molecular Biology 92, 84-92. 10.1016/j.ibmb.2017.11.011. [PDB: 6b02, 6b04, 6b06] CMCF-ID Health
Bryson, Steve; Thomson, Christy A.; Risnes, Louise F.; Dasgupta, Somnath; Smith, Kenneth et al. (2016). Structures of Preferred Human IgV Genes–Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation. Journal of Immunology 196(11) , 4723-4730. 10.4049/jimmunol.1402890. [PDB: 4hh9, 4hha] CMCF-ID Health
Wong, Alan H. M.; Tomlinson, Aidan C. A.; Zhou, Dongxia; Satkunarajah, Malathy; Chen, Kevin et al. (2017). Receptor-binding loops in alphacoronavirus adaptation and evolution. Nature Communications 8(1) . 10.1038/s41467-017-01706-x. [PDB: 6atk] CMCF-ID Health
Siu, Tony; Brubaker, Jason; Fuller, Peter; Torres, Luis; Zeng, Hongbo et al. (2017). The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties. Journal of Medicinal Chemistry 60(23) , 9676-9690. 10.1021/acs.jmedchem.7b01135. [PDB: 5wo4] CMCF-ID Health
Scally, Stephen W.; Murugan, Rajagopal; Bosch, Alexandre; Triller, Gianna; Costa, Giulia et al. (2017). Rare PfCSP C-terminal antibodies induced by live sporozoite vaccination are ineffective against malaria infection. Journal of Experimental Medicine 215(1) , 63-75. 10.1084/jem.20170869. [PDB: 6b0s, 6b0w] CMCF-ID Health
Scally, Stephen W.; McLeod, Brandon; Bosch, Alexandre; Miura, Kazutoyo; Liang, Qi et al. (2017). Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25. Nature Communications 8(1) . 10.1038/s41467-017-01924-3. [PDB: 6azz, 6b08, 6b0a, 6b0e, 6b0g, 6b0h] CMCF-ID Health
Boniecki, Michal T.; Freibert, Sven A.; Mühlenhoff, Ulrich; Lill, Roland; Cygler, Miroslaw et al. (2017). Structure and functional dynamics of the mitochondrial Fe/S cluster synthesis complex. Nature Communications 8(1) . 10.1038/s41467-017-01497-1. [PDB: 5wgb, 5wkp, 5wlw] CMCF-ID Health
Xiong, Yumei; Walker, Kenneth; Min, Xiaoshan; Hale, Clarence; Tran, Thanhvien et al. (2017). Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys. Science Translational Medicine 9(412) , eaan8732. 10.1126/scitranslmed.aan8732. [PDB: 5vt2] CMCF-ID Health
Riggs, Jennifer R.; Nagy, Mark; Elsner, Jan; Erdman, Paul; Cashion, Dan et al. (2017). The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen. Journal of Medicinal Chemistry 60(21) , 8989-9002. 10.1021/acs.jmedchem.7b01223. [PDB: 6b4w] CMCF-ID Health