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4B12

Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)

Summary for 4B12
Entry DOI10.2210/pdb4b12/pdb
Related4A95 4B10 4B11 4B13 4B14
DescriptorGLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one, 2-oxopentadecyl-CoA, ... (8 entities in total)
Functional Keywordstransferase, plasmodium, malaria, drug design
Biological sourcePLASMODIUM VIVAX
Total number of polymer chains3
Total formula weight140199.28
Authors
Yu, Z.,Brannigan, J.A.,Moss, D.K.,Brzozowski, A.M.,Wilkinson, A.J.,Holder, A.A.,Tate, E.W.,Leatherbarrow, R.J. (deposition date: 2012-07-06, release date: 2012-10-17, Last modification date: 2023-12-20)
Primary citationYu, Z.,Brannigan, J.A.,Moss, D.K.,Brzozowski, A.M.,Wilkinson, A.J.,Holder, A.A.,Tate, E.W.,Leatherbarrow, R.J.
Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55:8879-, 2012
Cited by
PubMed Abstract: Design of inhibitors for N-myristoyltransferase (NMT), an enzyme responsible for protein trafficking in Plasmodium falciparum , the most lethal species of parasites that cause malaria, is described. Chemistry-driven optimization of compound 1 from a focused NMT inhibitor library led to the identification of two early lead compounds 4 and 25, which showed good enzyme and cellular potency and excellent selectivity over human NMT. These molecules provide a valuable starting point for further development.
PubMed: 23035716
DOI: 10.1021/JM301160H
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.79 Å)
Structure validation

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