| Curtin, Michael L.; Pliushchev, Marina A.; Li, Huan-Qiu; Torrent, Maricel; Dietrich, Justin D. et al. (2017). SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorganic and Medicinal Chemistry Letters 27(7) , 1576-1583. 10.1016/j.bmcl.2017.02.030. [PDB: 5u69, 5u6d] |
CMCF-ID |
Peer-Reviewed Article |
Health |
| Sheriff, S. (2017). CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide. Protein Data Bank: 5twn. |
CMCF-ID |
PDB Deposition |
Agriculture |
| Eastman, Kyle J.; Parcella, Kyle; Yeung, Kap-Sun; Grant-Young, Katharine A.; Zhu, Juliang et al. (2017). The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase. MedChemComm 8(4) , 796-806. 10.1039/c6md00636a. [PDB: 5twn] |
CMCF-ID |
Peer-Reviewed Article |
Health |
| Park, J.; Leung, C.Y.; Tsantrizos, Y.S.; Berghuis, A.M. (2017). Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-066. Protein Data Bank: 5jv1. |
CMCF-ID |
PDB Deposition |
Health |
| Park, J.; Magder, A.; Leung, C.Y.; Tsantrizos, Y.S.; Berghuis, A.M. et al. (2017). Crystal structure of human FPPS in complex with an allosteric inhibitor CL-06-057. Protein Data Bank: 5juz. |
CMCF-ID |
PDB Deposition |
Health |
| Park, Jaeok; Leung, Chun Yuen; Matralis, Alexios N.; Lacbay, Cyrus M.; Tsakos, Michail et al. (2017). Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase. Journal of Medicinal Chemistry 60(5) , 2119-2134. 10.1021/acs.jmedchem.6b01888. [PDB: 5juz, 5jv1] |
CMCF-ID |
Peer-Reviewed Article |
Health |
| Hughes, S.J.; Lyle, A.G.; Song, J.H.; Antoshchenko, T.; Park, H. et al. (2017). Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-1) in complex with lipoic acid. Protein Data Bank: 5ij6. |
CMCF-ID |
PDB Deposition |
Agriculture |
| Abbas, Yazan M.; Laudenbach, Beatrice Theres; Martínez-Montero, Saúl; Cencic, Regina; Habjan, Matthias et al. (2017). Structure of human IFIT1 with capped RNA reveals adaptable mRNA binding and mechanisms for sensing N1 and N2 ribose 2′-O methylations. Proceedings of the National Academy of Sciences of the United States of America 114(11) , E2106-E2115. 10.1073/pnas.1612444114. [PDB: 5udi, 5udj, 5udk, 5udl] |
CMCF-ID |
Peer-Reviewed Article |
Health |
| Bertwistle; Drew (2015). X-ray Crystallography of Inositol Dehydrogenase Enzymes. Supervisor: Sanders, David; Bergstrom, Jack. Saskatchewan: University of Saskatchewan. http://hdl.handle.net/10388/ETD-2015-04-2027. |
CMCF-BM, CMCF-ID |
Doctoral Thesis |
|
| Muckelbauer, J.K. (2017). Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide. Protein Data Bank: 5t18. |
CMCF-ID |
PDB Deposition |
Health |
| Watterson, Scott H.; De Lucca, George V.; Shi, Qing; Langevine, Charles M.; Liu, Qingjie et al. (2016). Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton’s Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. Journal of Medicinal Chemistry 59(19) , 9173-9200. 10.1021/acs.jmedchem.6b01088. [PDB: 5t18] |
CMCF-ID |
Peer-Reviewed Article |
Health |
| Abbas, Y.M.; Martinez-Montero, S.; Damha, M.J.; Nagar, B. (2017). IFIT1 N216A monomeric mutant (L457E/L464E) with m7Gppp-AAAA (anti conformation of cap). Protein Data Bank: 5udl. |
CMCF-ID |
PDB Deposition |
Health |
| Abbas, Y.M.; Martinez-Montero, S.; Damha, M.J.; Nagar, B. (2017). IFIT1 monomeric mutant (L457E/L464E) with PPP-AAAA. Protein Data Bank: 5udk. |
CMCF-ID |
PDB Deposition |
Health |
| Abbas, Y.M.; Martinez-Montero, S.; Damha, M.J.; Nagar, B. (2017). IFIT1 monomeric mutant (L457E/L464E) with Gppp-AAAA. Protein Data Bank: 5udj. |
CMCF-ID |
PDB Deposition |
Health |
| Abbas, Y.M.; Martinez-Montero, S.; Damha, M.J.; Nagar, B. (2017). IFIT1 monomeric mutant (L457E/L464E) with m7Gppp-AAAA (syn and anti conformations of cap). Protein Data Bank: 5udi. |
CMCF-ID |
PDB Deposition |
Health |