4A31

CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND

Summary for 4A31

• Entry DOI: 10.2210/pdb4a31/pdb
• Related: 2WSA 4A2Z 4A30 4A32 4A33
• Descriptor: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, GLYCEROL, 6-{[2-(4-METHYLPIPERAZIN-1-YL)ETHYL]AMINO}-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)PYRIDINE-3-SULFONAMIDE, ... (5 entities in total)
• Functional Keywords: acyltransferase, transferase, drug discovery, leishmaniasis
• Biological source: LEISHMANIA MAJOR
• Total number of polymer chains: 1
• Total formula weight: 51990.77

Authors

Robinson, D.A.,Brand, S.,Cleghorn, L.A.T.,McElroy, S.P.,Smith, V.C.,Hallyburton, I.,Harrison, J.R.,Norcross, N.R.,Norval, S.,Spinks, D.,Stojanovski, L.,Torrie, L.S.,Frearson, J.A.,Brenk, R.,Fairlamb, A.H.,Ferguson, M.A.J.,Read, K.D.,Wyatt, P.G.,Gilbert, I.H. (deposition date: 2011-09-29, release date: 2011-12-21, Last modification date: 2023-12-20)

• Primary citation: Brand, S.,Cleghorn, L.A.,McElroy, S.P.,Robinson, D.A.,Smith, V.C.,Hallyburton, I.,Harrison, J.R.,Norcross, N.R.,Spinks, D.,Bayliss, T.,Norval, S.,Stojanovski, L.,Torrie, L.S.,Frearson, J.A.,Brenk, R.,Fairlamb, A.H.,Ferguson, M.A.,Read, K.D.,Wyatt, P.G.,Gilbert, I.H.; Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.; J. Med. Chem., 55:140-152, 2012; PubMed: 22148754; DOI: 10.1021/jm201091t

Experimental method

X-RAY DIFFRACTION (2.09 Å)