Publication Beamlines Strategic Pillar
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
Ereño-Orbea, June; Sicard, Taylor; Cui, Hong; Carson, Jacob; Hermans, Pim et al. (2018). Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments. Journal of Molecular Biology 430(3) , 322-336. 10.1016/j.jmb.2017.12.010. [PDB: 6ana, 6and, 6ani] 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
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
Hedges, Jason B.; Kuatsjah, Eugene; Du, Yi-Ling; Eltis, Lindsay D.; Ryan, Katherine S. et al. (2018). Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase. ACS Chemical Biology 13(4) , 965-974. 10.1021/acschembio.8b00039. [PDB: 6c3a, 6c3b, 6c3c, 6c3d] CMCF-ID Health
Leighton, T. L.; Mok, M. C.; Junop, M. S.; Howell, P. L.; Burrows, L. L. et al. (2018). Conserved, unstructured regions in Pseudomonas aeruginosa PilO are important for type IVa pilus function. Scientific Reports 8(1) . 10.1038/s41598-018-20925-w. [PDB: 5uvr] CMCF-ID Agriculture
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 Agriculture
Mahoney, Sarah J.; Narayan, Sridhar; Molz, Lisa; Berstler, Lauren A.; Kang, Seong A. et al. (2018). A small molecule inhibitor of Rheb selectively targets mTORC1 signaling. Nature Communications 9(1) . 10.1038/s41467-018-03035-z. [PDB: 6bt0] CMCF-ID Health
McAllister, Laura A.; Butler, Christopher R.; Mente, Scot; O’Neil, Steven V.; Fonseca, Kari R. et al. (2018). Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation. Journal of Medicinal Chemistry 61(7) , 3008-3026. 10.1021/acs.jmedchem.8b00070. [PDB: 6bq0] CMCF-ID Health
Ozer, Hatice Gulcin; El-Gamal, Dalia; Powell, Ben; Hing, Zachary A.; Blachly, James S. et al. (2018). BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discovery 8(4) , 458-477. 10.1158/2159-8290.cd-17-0902. [PDB: 5wma] 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 Agriculture
Pluvinage, Benjamin; Grondin, Julie M.; Amundsen, Carolyn; Klassen, Leeann; Moote, Paul E. et al. (2018). Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont. Nature Communications 9(1) . 10.1038/s41467-018-03366-x. [PDB: 5t9a, 5t9x, 5ta0, 5ta1, 5ta5, 5ta7, 5ta9] CMCF-BM, CMCF-ID Agriculture
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 Agriculture
Wagner, Florence F.; Benajiba, Lina; Campbell, Arthur J.; Weïwer, Michel; Sacher, Joshua R. et al. (2018). Exploiting an Asp-Glu “switch” in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Science Translational Medicine 10(431) , eaam8460. 10.1126/scitranslmed.aam8460. [PDB: 5kpl, 5kpm] CMCF-ID Health
Workman, Sean D.; Worrall, Liam J.; Strynadka, Natalie C. J. (2018). Crystal structure of an intramembranal phosphatase central to bacterial cell-wall peptidoglycan biosynthesis and lipid recycling. Nature Communications 9(1) . 10.1038/s41467-018-03547-8. [PDB: 6cb2] CMCF-ID Agriculture