Discovery of high affinity inhibitors of Leishmania donovani N-myristoyltransferase† †Electronic supplementary information (ESI) available. The coordinates and structure factor files have been deposited in the Protein Data Bank under the accession codes 5A27 and 5A28. See DOI: 10.1039/c5md00241a Click here for additional data file.
نویسندگان
چکیده
donovani N-myristoyltransferase Mark D. Rackham,1,∞, §Zhiyong Yu,1,∞,§ James A. Brannigan,2 William P. Heal,1,∞ Daniel Paape,3,∞ K. Victoria Barker,1,∞ Anthony J. Wilkinson,2 Deborah F. Smith,3 Robin J. Leatherbarrow, 1,∞ and Edward W. Tate1* 1 Department of Chemistry, Imperial College London, South Kensington Campus, London, SW7 2AZ, U.K. 2 Structural Biology Laboratory, Department of Chemistry, University of York, York, YO10 5DD, U.K. 3Department of Biology, University of York, York, YO10 5DD, U.K. ∞Current addresses: MDR GlaxoSmithKline, Gunnels Wood Road, Stevenage, SG1 2NY,
منابع مشابه
Peptidomimetic inhibitors of N-myristoyltransferase from human malaria and leishmaniasis parasites† †Electronic supplementary information (ESI) available: Experimental procedures, characterization of intermediates and target compounds, description of biological assays, and crystallographic information are available in the Supplementary Information. The coordinates and structure factor files have been deposited in the Protein Data Bank with the accession codes: 4c68 (PvNMT-NHM-10), 4c7h (LmNMT-MyrCoA-10) and 4c7i (LmNMT-MyrCoA-46). See DOI: 10.1039/c4ob01669f Click here for additional data file.
N-Myristoyltransferase (NMT) has been shown to be essential in Leishmania and subsequently validated as a drug target in Plasmodium. Herein, we discuss the use of antifungal NMT inhibitors as a basis for inhibitor development resulting in the first sub-micromolar peptidomimetic inhibitors of Plasmodium and Leishmania NMTs. High-resolution structures of these inhibitors with Plasmodium and Leish...
متن کاملEngineering proximal vs. distal heme–NO coordination via dinitrosyl dynamics: implications for NO sensor design† †Electronic supplementary information (ESI) available: Structure factors and atomic coordinates have been deposited in the RCSB Protein Data Bank with accession codes; 5JT4, 5JLI, 5JP7, 5JRA, 5JVE, 5JUA, 5JSL, 5JS5. See DOI: 10.1039/c6sc04190f Click here for additional data file.
School of Biological Sciences, University of CO4 3SQ, UK. E-mail: [email protected] Department of Chemistry and Biochemistry Oregon 97850, USA. E-mail: candrew@eou. Faculty of Science and Education Science, Iraq Medical Research Center, Hawler Medical Swiss Light Source, Paul Scherrer Institute, Manchester Institute of Biotechnology, 131 School of Chemistry, Bangor University, Ba Molecular Bio...
متن کاملDiscovery of pyridyl-based inhibitors of Plasmodium falciparum N-myristoyltransferase† †Electronic supplementary information (ESI) available: Experimental procedures and characterization of all intermediates, target compounds and X-ray crystallographic data. The coordinates and structure factor files have been deposited in the Protein Data Bank under the accession codes 4UFV (PvNMT-NHM-18), 4UFW (PvNMT-NHM-22) and 4UFX (PvNMT-NHM-19). See DOI: 10.1039/c5md00242g Click here for additional data file.
CHEMISTRY General methods. All solvents and reagents were purchased from commercial sources and used without further purification. The compounds were spotted on silica TLC plates (Merck, Si 60 , F254), visualized under UV-light at 254 nm or iodine over silica. Purification of the compounds for biological tests was performed on a Waters 2767 system equipped with a photodiode array and an ESI mas...
متن کاملCarborane-based design of a potent vitamin D receptor agonist† †Accession number. The coordinates and structure factors are deposited in the Protein Data Bank under the accession code 5E7V. ‡ ‡Electronic supplementary information (ESI) available: Experimental procedures, computational details, spectroscopic data and copies of 1H and 13C NMR spectra and characterization data for all new compounds. See DOI: 10.1039/c5sc03084f Click here for additional data file.
Departamento de Qúımica Orgánica, Lab Universidad de Santiago de Compostela, Compostela, Spain. E-mail: antonio.mourin Departamento de Fisioloǵıa–CIMUS, Unive 15706 Santiago de Compostela, Spain Department of Integrative Structural Biolo U964, 1, rue Laurent Fries, 67400 Illkirch, F Departmento de Qúımica Fundamental, Zapateira s/n, 15071 A Coruña, Spain † Accession number. The coordinates and ...
متن کاملFirst synthetic analogues of diphosphoinositol polyphosphates: interaction with PP-InsP5 kinase† †Electronic supplementary information (ESI) available: Data deposition: the atomic coordinates and structure factors have been deposited in the Protein Data Bank, www.pdb.org (PDB ID code 4GB4). See DOI: 10.1039/c2cc36044f Click here for additional data file.
We synthesised analogues of diphosphoinositol polyphosphates (PP-InsPs) in which the diphosphate is replaced by an α-phosphonoacetic acid (PA) ester. Structural analysis revealed that 5-PA-InsP(5) mimics 5-PP-InsP(5) binding to the kinase domain of PPIP5K2; both molecules were phosphorylated by the enzyme. PA-InsPs are promising candidates for further studies into the biology of PP-InsPs.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره 6 شماره
صفحات -
تاریخ انتشار 2015