4UWJ
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand
Summary for 4UWJ
Entry DOI | 10.2210/pdb4uwj/pdb |
Related | 4UWI |
Descriptor | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, TETRADECANOYL-COA, ... (4 entities in total) |
Functional Keywords | transferase, drug discovery |
Biological source | ASPERGILLUS FUMIGATUS |
Cellular location | Cytoplasm: Q9UVX3 |
Total number of polymer chains | 1 |
Total formula weight | 48532.14 |
Authors | Robinson, D.A.,Brand, S.,Norcross, N.R.,Thompson, S.,Harrison, J.R.,Smith, V.C.,Torrie, L.S.,McElroy, S.P.,Hallyburton, I.,Norval, S.,Stojanovski, L.,Simeons, F.R.C.,Frearson, J.A.,Brenk, R.,Fairlamb, A.H.,Ferguson, M.A.J.,Wyatt, P.G.,Gilbert, I.H.,Read, K.D. (deposition date: 2014-08-12, release date: 2014-12-03, Last modification date: 2024-05-08) |
Primary citation | Brand, S.,Norcross, N.R.,Thompson, S.,Harrison, J.R.,Smith, V.C.,Robinson, D.A.,Torrie, L.S.,McElroy, S.P.,Hallyburton, I.,Norval, S.,Scullion, P.,Stojanovski, L.,Simeons, F.R.,van Aalten, D.,Frearson, J.A.,Brenk, R.,Fairlamb, A.H.,Ferguson, M.A.,Wyatt, P.G.,Gilbert, I.H.,Read, K.D. Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57:9855-9869, 2014 Cited by PubMed: 25412409DOI: 10.1021/jm500809c PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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