2OI0

Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide

2OI0 の概要

• エントリーDOI: 10.2210/pdb2oi0/pdb
• 分子名称: TNF- a Converting Enzyme (TACE), ZINC ION, (3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL, ... (4 entities in total)
• 機能のキーワード: tnf-a coverting enzyme, aryl-sulfonamide, tace inhibitors, hydrolase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein: P78536
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 30413.49

構造登録者

Wei, Y.,Rao, G.B.,Bandarage, U.K. (登録日: 2007-01-10, 公開日: 2007-11-27, 最終更新日: 2024-11-20)

主引用文献

Govinda Rao, B.,Bandarage, U.K.,Wang, T.,Come, J.H.,Perola, E.,Wei, Y.,Tian, S.K.,Saunders, J.O.
Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides
Bioorg.Med.Chem.Lett., 17:2250-2253, 2007

PubMed Abstract: A series of potent thiol-containing aryl sulfonamide TACE inhibitors was designed and synthesized. The SAR and MMP selectivity of the series were investigated. In particular, compound 4b has shown excellent in vitro potency against the isolated TACE enzyme and good selectivity over MMP-2, -7, -8, -9, and -13. The X-ray structure of 4b bound to TACE was obtained.

PubMed: 17289381
DOI: 10.1016/j.bmcl.2007.01.064

実験手法

X-RAY DIFFRACTION (2 Å)