6GNS

Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand

Summary for 6GNS

• Entry DOI: 10.2210/pdb6gns/pdb
• Descriptor: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate, ... (4 entities in total)
• Functional Keywords: acyltransferase, transferase, drug discovery
• Biological source: Leishmania major
• Total number of polymer chains: 1
• Total formula weight: 49029.76

Authors

Robinson, D.A.,Harrison, J.R.,Brand, S.,Smith, V.C.,Thompson, S.,Smith, A.,Davies, K.,Mok, N.Y.,Torrie, L.S.,Collie, I.,Hallyburton, I.,Norval, S.,Simeons, F.R.C.,Stojanovski, L.,Frearson, J.A.,Brenk, R.,Wyatt, P.G.,Gilbert, I.H.,Read, K.D. (deposition date: 2018-05-31, release date: 2018-09-26, Last modification date: 2024-01-17)

• Primary citation: Harrison, J.R.,Brand, S.,Smith, V.,Robinson, D.A.,Thompson, S.,Smith, A.,Davies, K.,Mok, N.,Torrie, L.S.,Collie, I.,Hallyburton, I.,Norval, S.,Simeons, F.R.C.,Stojanovski, L.,Frearson, J.A.,Brenk, R.,Wyatt, P.G.,Gilbert, I.H.,Read, K.D.; A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.; J. Med. Chem., 61:8374-8389, 2018; PubMed: 30207721; DOI: 10.1021/acs.jmedchem.8b00884

Experimental method

X-RAY DIFFRACTION (1.8 Å)