2A8H

Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor

2A8H の概要

• エントリーDOI: 10.2210/pdb2a8h/pdb
• 関連するPDBエントリー: 1ZXC 1bkc
• 分子名称: ADAM 17, ZINC ION, 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ... (4 entities in total)
• 機能のキーワード: tace/adam-17, tace-inhibitor complex, zn-endopeptidase, 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: 2
• 化学式量合計: 62378.53

構造登録者

Levin, J.I.,Chen, J.M.,Laakso, L.M.,Du, M.,Schmid, J.,Xu, W.,Cummons, T.,Xu, J.,Jin, G.,Barone, D.,Skotnicki, J.S. (登録日: 2005-07-08, 公開日: 2006-02-07, 最終更新日: 2024-10-30)

主引用文献

Levin, J.I.,Chen, J.M.,Laakso, L.M.,Du, M.,Schmid, J.,Xu, W.,Cummons, T.,Xu, J.,Jin, G.,Barone, D.,Skotnicki, J.S.
Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates.
Bioorg.Med.Chem.Lett., 16:1605-1609, 2006

PubMed Abstract: A series of thiomorpholine sulfonamide hydroxamate TACE inhibitors, all bearing propargylic ether P1' groups, was explored. In particular, compound 5h has excellent in vitro potency against isolated TACE enzyme and in cells, oral activity in a model of TNF-alpha production and a collagen-induced arthritis model, was selected as a clinical candidate for the treatment of RA.

PubMed: 16426848
DOI: 10.1016/j.bmcl.2005.12.020

実験手法

X-RAY DIFFRACTION (2.3 Å)