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.

Discovery 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...

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.

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 Chemistr...

Carbene catalyzed umpolung of α,β-enals: a reactivity study of diamino dienols vs. azolium enolates, and the characterization of advanced reaction intermediates† †Electronic supplementary information (ESI) available: Experimental procedures, compound characterization data, and X-ray crystallographic data of compounds 4b-Et and 4b-Me. CCDC 1014843 and 1014844. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01027f Click here for additional data file. Click here for additional data file.

All-metal aromatic cationic palladium triangles can mimic aromatic donor ligands with Lewis acidic cations† †Electronic supplementary information (ESI) available: Reaction procedures, characterization of complexes, copies of all spectra and cif files, modelling details and XYZ coordinates. CCDC 1410440–1410442. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc03475j Click here for additional data file. Click here for additional data file.

Carborane-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 ...