4UCM

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

4UCM の概要

• エントリーDOI: 10.2210/pdb4ucm/pdb
• 関連するPDBエントリー: 4UCN 4UCP
• 分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, methyl-3-methyl-5-phenyl-2H-pyrazol-4-methyl amine, ... (4 entities in total)
• 機能のキーワード: nmt, myristoyltransferase, acyltransferase, transferase, drug discovery, fragment
• 由来する生物種: LEISHMANIA MAJOR
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 51692.41

構造登録者

Robinson, D.A.,Wyatt, P.G. (登録日: 2014-12-04, 公開日: 2015-05-13, 最終更新日: 2023-12-20)

主引用文献

Robinson, D.A.,Wyatt, P.G.
Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase
Acta Crystallogr.,Sect.F, 71:586-, 2015

PubMed Abstract: Trypanosoma brucei N-myristoyltransferase (TbNMT) is an attractive therapeutic target for the treatment of human African trypanosomiasis. Pyrazole sulfonamide (DDD85646), a potent inhibitor of TbNMT, has been identified in previous studies; however, poor central nervous system exposure restricts its use to the haemolymphatic form (stage 1) of the disease. In order to identify new chemical matter, a fragment screen was carried out by ligand-observed NMR spectroscopy, identifying hits that occupy the DDD85646 binding site. Crystal structures of hits from this assay have been obtained in complex with the closely related NMT from Leishmania major, providing a structural starting point for the evolution of novel chemical matter.

PubMed: 25945713
DOI: 10.1107/S2053230X15003040

実験手法

X-RAY DIFFRACTION (2.32 Å)