Publication Beamlines Strategic Pillar
Planken, Simon; Behenna, Douglas C.; Nair, Sajiv K.; Johnson, Theodore O.; Nagata, Asako et al. (2017). Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. Journal of Medicinal Chemistry 60(7) , 3002-3019. 10.1021/acs.jmedchem.6b01894. [PDB: 5ugc] CMCF-ID Health
Pluvinage, Benjamin; Fillo, Alexander; Massel, Patricia; Boraston, Alisdair B. (2017). Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of β-1,3-Glucan Quaternary Structure. Structure 25(9) , 1348-1359.e3. 10.1016/j.str.2017.06.019. [PDB: 5t4a, 5t4c, 5t4g] CMCF-ID Health
Radka, Christopher D.; DeLucas, Lawrence J.; Wilson, Landon S.; Lawrenz, Matthew B.; Perry, Robert D. et al. (2017). Crystal structure ofYersinia pestisvirulence factor YfeA reveals two polyspecific metal-binding sites. Acta Crystallographica Section D: Structural Biology 73(7) , 557-572. 10.1107/s2059798317006349. [PDB: 5uy0, 5uy4, 5uy5, 5uya, 5uyb, 5uyc, 5uyd, 5uye, 5uyf] 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
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
Sakurada, Isao; Endo, Toshiya; Hikita, Katsuyoshi; Hirabayashi, Tomokazu; Hosaka, Yoshitaka et al. (2017). Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorganic and Medicinal Chemistry Letters 27(11) , 2622-2628. 10.1016/j.bmcl.2017.03.002. [PDB: 5tnt] 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
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
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
Stanger, Frédéric V.; de Beer, Tjaart A.P.; Dranow, David M.; Schirmer, Tilman; Phan, Isabelle et al. (2017). The BID Domain of Type IV Secretion Substrates Forms a Conserved Four-Helix Bundle Topped with a Hook. Structure 25(1) , 203-211. 10.1016/j.str.2016.10.010. [PDB: 4yk1] CMCF-ID Health
Sun, Luxin; Huang, Yuhao; Edwards, Ross A.; Yang, Sukmin; Blackford, Andrew N. et al. (2017). Structural Insight into BLM Recognition by TopBP1. Structure 25(10) , 1582-1588.e3. 10.1016/j.str.2017.08.005. [PDB: 5u6k] CMCF-ID Health
Tarry, Michael J.; Haque, Asfarul S.; Bui, Khanh Huy; Schmeing, T. Martin (2017). X-Ray Crystallography and Electron Microscopy of Cross- and Multi-Module Nonribosomal Peptide Synthetase Proteins Reveal a Flexible Architecture. Structure 25(5) , 783-793.e4. 10.1016/j.str.2017.03.014. [PDB: 5u89] 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
Wahba, Haytham M.; Stevenson, Michael J.; Mansour, Ahmed; Sygusch, Jurgen; Wilcox, Dean E. et al. (2017). Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon–Metal Bond Cleavage. Journal of the American Chemical Society 139(2) , 910-921. 10.1021/jacs.6b11327. [PDB: 5u79, 5u7b, 5u7c, 5u82, 5u83] CMCF-ID Health
Wilsbacher, Julie L.; Cheng, Min; Cheng, Dong; Trammell, Samuel A.J.; Shi, Yan et al. (2017). Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors. Molecular Cancer Therapeutics 16(7) , 1236-1245. 10.1158/1535-7163.mct-16-0819. [PDB: 5u2m] CMCF-ID Health