White, E. Railey; Sun, Luxin; Ma, Zhong; Beckta, Jason M.; Danzig, Brittany A. et al. (2015). Peptide Library Approach to Uncover Phosphomimetic Inhibitors of the BRCA1 C-Terminal Domain. ACS Chemical Biology 10(5) , 1198-1208. 10.1021/cb500757u. [PDB: 4ofb] |
CMCF-BM, CMCF-ID |
Peer-Reviewed Article |
Health |
van Straaten, Karin E.; Kuttiyatveetil, Jijin R. A.; Sevrain, Charlotte M.; Villaume, Sydney A.; Jiménez-Barbero, Jesús et al. (2015). Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues. Journal of the American Chemical Society 137(3) , 1230-1244. 10.1021/ja511204p. [PDB: 4rpg, 4rph, 4rpj, 4rpk, 4rpl] |
CMCF-ID |
Peer-Reviewed Article |
Health |
Vadlamani, Grishma; Thomas, Misty D.; Patel, Trushar R.; Donald, Lynda J.; Reeve, Thomas M. et al. (2015). The β-Lactamase Gene Regulator AmpR Is a Tetramer That Recognizes and Binds the d-Ala-d-Ala Motif of Its Repressor UDP-N-acetylmuramic Acid (MurNAc)-pentapeptide. Journal of Biological Chemistry 290(5) , 2630-2643. 10.1074/jbc.m114.618199. [PDB: 4wkm] |
CMCF-ID |
Peer-Reviewed Article |
Health |
Taylor, Alexander M.; Vaswani, Rishi G.; Gehling, Victor S.; Hewitt, Michael C.; Leblanc, Yves et al. (2015). Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains. ACS Medicinal Chemistry Letters 7(2) , 145-150. 10.1021/ml500411h. [PDB: 4z1s] |
CMCF-ID |
Peer-Reviewed Article |
Health |
Szewczyk, Paul; Tao, Houchao; McGrath, Aaron P.; Villaluz, Mark; Rees, Steven D. et al. (2015). Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallographica Section D Biological Crystallography 71(3) , 732-741. 10.1107/s1399004715000978. [PDB: 4q9i, 4q9j, 4q9l] |
CMCF-ID |
Peer-Reviewed Article |
Health |
Solomonson, Matthew; Setiaputra, Dheva; Makepeace, Karl A.T.; Lameignere, Emilie; Petrotchenko, Evgeniy V. et al. (2015). Structure of EspB from the ESX-1 Type VII Secretion System and Insights into its Export Mechanism. Structure 23(3) , 571-583. 10.1016/j.str.2015.01.002. [PDB: 4wj1, 4wj2] |
CMCF-BM |
Peer-Reviewed Article |
Health |
Sobhanifar, Solmaz; Worrall, Liam James; Gruninger, Robert J.; Wasney, Gregory A.; Blaukopf, Markus et al. (2015). Structure and mechanism of
Staphylococcus aureus
TarM, the wall teichoic acid α-glycosyltransferase. Proceedings of the National Academy of Sciences of the United States of America 112(6) , E576-E585. 10.1073/pnas.1418084112. [PDB: 4x6l, 4x7m, 4x7p, 4x7r] |
CMCF-BM |
Peer-Reviewed Article |
Health |
Sanhueza, Carlos A.; Cartmell, Jonathan; El-Hawiet, Amr; Szpacenko, Adam; Kitova, Elena N. et al. (2015). Evaluation of a focused virtual library of heterobifunctional ligands for Clostridium difficile toxins. Organic and Biomolecular Chemistry 13(1) , 283-298. 10.1039/c4ob01838a. |
CMCF-BM |
Peer-Reviewed Article |
Health |
Ren, Li; Grina, Jonas; Moreno, David; Blake, James F.; Gaudino, John J. et al. (2015). Discovery of Highly Potent, Selective, and Efficacious Small Molecule Inhibitors of ERK1/2. Journal of Medicinal Chemistry 58(4) , 1976-1991. 10.1021/jm501921k. [PDB: 4xj0] |
CMCF-ID |
Peer-Reviewed Article |
Health |
Parker, Aulma; Petluru, Pavankumar; Nienaber, Vicki; Badger, John; Leverett, Betsy et al. (2015). Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787. Molecules 20(3) , 4928-4950. 10.3390/molecules20034928. |
CMCF-ID |
Peer-Reviewed Article |
Health |
Lugo, Miguel R.; Merrill, A. Rod (2015). Pocket analysis of the full-length cholix toxin. An assessment of the structure–dynamics of theapocatalytic domain. Journal of Biomolecular Structure and Dynamics 33(11) , 2452-2468. 10.1080/07391102.2014.1000972. |
CMCF-ID |
Peer-Reviewed Article |
Health |
Loewen, Peter C.; Villanueva, Jacylyn; Switala, Jacek; Donald, Lynda J.; Ivancich, Anabella et al. (2015). Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity ofBacillus pumiluscatalase monitored by X-ray crystallography and EPR spectroscopy. Proteins: Structure. Function and Bioinformatics 83(5) , 853-866. 10.1002/prot.24777. [PDB: 4qol, 4qom, 4qon, 4qoo, 4qop, 4qoq] |
CMCF-ID |
Peer-Reviewed Article |
Health |
Krska, Daniel; Ravulapalli, Ravikiran; Fieldhouse, Robert J.; Lugo, Miguel R.; Merrill, A. Rod et al. (2015). C3larvin Toxin, an ADP-ribosyltransferase from Paenibacillus larvae. Journal of Biological Chemistry 290(3) , 1639-1653. 10.1074/jbc.m114.589846. [PDB: 4tr5] |
CMCF-ID |
Peer-Reviewed Article |
Health |
King, Dustin T.; King, Andrew M.; Lal, Sarah M.; Wright, Gerard D.; Strynadka, Natalie C. J. et al. (2015). Molecular Mechanism of Avibactam-Mediated β-Lactamase Inhibition. ACS Infectious Diseases 1(4) , 175-184. 10.1021/acsinfecdis.5b00007. [PDB: 4s2i, 4s2j, 4s2k, 4s2n, 4s2o, 4s2p] |
CMCF-BM |
Peer-Reviewed Article |
Health |
Gritzalis, Dimitrios; Park, Jaeok; Chiu, Wei; Cho, Hyungjun; Lin, Yih-Shyan et al. (2015). Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase. Bioorganic and Medicinal Chemistry Letters 25(5) , 1117-1123. 10.1016/j.bmcl.2014.12.089. [PDB: 4qxs] |
CMCF-ID |
Peer-Reviewed Article |
Health |