2YB9

Crystal Structure of Human Neutral Endopeptidase complexed with a heteroarylalanine diacid.

2YB9 の概要

• エントリーDOI: 10.2210/pdb2yb9/pdb
• 関連するPDBエントリー: 1DL9 1DMT 1QVD 1R1H 1R1I 1R1J 1Y8J
• 分子名称: NEPRILYSIN, ZINC ION, HETEROARYLALANINE 5-PHENYL OXAZOLE, ... (4 entities in total)
• 機能のキーワード: hydrolase, neprilysine, metalloproteinase
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Cell membrane; Single-pass type II membrane protein: P08473
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 80033.42

構造登録者

Glossop, M.S.,Bazin, R.J.,Dack, K.N.,Done, S.,Fox, D.N.A.,MacDonald, G.A.,Mills, M.,Owen, D.R.,Phillips, C.,Reeves, K.A.,Ringer, T.J.,Strang, R.S.,Watson, C.A.L. (登録日: 2011-03-02, 公開日: 2011-05-25, 最終更新日: 2024-11-13)

主引用文献

Glossop, M.S.,Bazin, R.J.,Dack, K.N.,Fox, D.N.A.,Macdonald, G.A.,Mills, M.,Owen, D.R.,Phillips, C.,Reeves, K.A.,Ringer, T.J.,Strang, R.S.,Watson, C.A.L.
Synthesis and Evaluation of Heteroarylalanine Diacids as Potent and Selective Neutral Endopeptidase Inhibitors.
Bioorg.Med.Chem.Lett., 21:3404-, 2011

PubMed Abstract: Heteroarylalanine derivatives 4 were designed as potential inhibitors of neutral endopeptidase (NEP EC 3.4.24.11). Selectivity over other zinc metalloproteinases was explored through occupation of the S2' subsite within NEP. Structural optimisation led to the identification of 5-phenyl oxazole 4f, a potent and selective NEP inhibitor. A crystal structure of the inhibitor bound complex is reported.

PubMed: 21515054
DOI: 10.1016/J.BMCL.2011.03.109

実験手法

X-RAY DIFFRACTION (2.4 Å)