4CAF

Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 34a)

4CAF の概要

• エントリーDOI: 10.2210/pdb4caf/pdb
• 関連するPDBエントリー: 4CAE
• 分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 4-[(2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine, DIMETHYL SULFOXIDE, ... (9 entities in total)
• 機能のキーワード: transferase, myristoylation, malaria, inhibitor, benzothiophene
• 由来する生物種: PLASMODIUM VIVAX (MALARIA PARASITE P. VIVAX)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 139763.59

構造登録者

Rackham, M.D.,Brannigan, J.A.,Rangachari, K.,Wilkinson, A.J.,Holder, A.A.,Tate, E.W.,Leatherbarrow, R.J. (登録日: 2013-10-08, 公開日: 2014-04-02, 最終更新日: 2024-05-08)

• 主引用文献: Rackham, M.D.,Brannigan, J.A.,Rangachari, K.,Meister, S.,Wilkinson, A.J.,Holder, A.A.,Leatherbarrow, R.J.,Tate, E.W.; Design and Synthesis of High Affinity Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferases Directed by Ligand Efficiency Dependent Lipophilicity (Lelp).; J.Med.Chem., 57:2773-, 2014; PubMed: 24641010; DOI: 10.1021/JM500066B

実験手法

X-RAY DIFFRACTION (1.7 Å)