2GTM

Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579

2GTM の概要

• エントリーDOI: 10.2210/pdb2gtm/pdb
• 関連するPDBエントリー: 1yw2 1ywr 2ghl 2ghm
• 分子名称: Mitogen-activated protein kinase 14, 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM (3 entities in total)
• 機能のキーワード: map kinase p38, p38, transferase
• 由来する生物種: Mus musculus (house mouse)
• 細胞内の位置: Cytoplasm : P47811
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40301.47

構造登録者

Walter, R.L.,Mekel, M.J.,Evdokimov, A.G.,Pokross, M.E.,Sabat, M. (登録日: 2006-04-28, 公開日: 2006-05-23, 最終更新日: 2024-04-03)

主引用文献

Sabat, M.,Vanrens, J.C.,Clark, M.P.,Brugel, T.A.,Maier, J.,Bookland, R.G.,Laufersweiler, M.J.,Laughlin, S.K.,Golebiowski, A.,De, B.,Hsieh, L.C.,Walter, R.L.,Mekel, M.J.,Janusz, M.J.
The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.
Bioorg.Med.Chem.Lett., 16:4360-4365, 2006

PubMed Abstract: A series of C-2, C-8, and N-9 trisubstituted purine based inhibitors of TNF-alpha production are described. The most potent analogs showed low nanomolar activity against LPS-induced TNF-alpha production in a THP-1 cell based assay. The SAR of the series was optimized with the aid of X-ray co-crystal structures of these inhibitors bound with mutated p38 (mp38).

PubMed: 16750367
DOI: 10.1016/j.bmcl.2006.05.050

実験手法

X-RAY DIFFRACTION (1.9 Å)