1ZPC

Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide

1ZPC の概要

• エントリーDOI: 10.2210/pdb1zpc/pdb
• 関連するPDBエントリー: 1ZPB
• 分子名称: Coagulation factor XI, SULFATE ION, 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE, ... (4 entities in total)
• 機能のキーワード: fxi, inhibitor, hydrolase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Secreted: P03951
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 27547.56

構造登録者

Deng, H.,Bannister, T.D.,Jin, L.,Nagafuji, P.,Celatka, C.A.,Lin, J.,Lazarova, T.I.,Rynkiewicz, M.J.,Quinn, J.,Bibbins, F.,Pandey, P.,Gorga, J.,Babine, R.E.,Meyers, H.V.,Abdel-Meguid, S.S.,Strickler, J.E. (登録日: 2005-05-16, 公開日: 2006-04-18, 最終更新日: 2024-11-20)

主引用文献

Deng, H.,Bannister, T.D.,Jin, L.,Babine, R.E.,Quinn, J.,Nagafuji, P.,Celatka, C.A.,Lin, J.,Lazarova, T.I.,Rynkiewicz, M.J.,Bibbins, F.,Pandey, P.,Gorga, J.,Meyers, H.V.,Abdel-Meguid, S.S.,Strickler, J.E.
Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16:3049-3054, 2006

PubMed Abstract: Using an alpha-ketothiazole arginine moiety as a key recognition element, a series of small peptidomimetic molecules was designed and synthesized, and their co-crystal structures with factor XIa were studied in an effort to develop smaller, less peptidic inhibitors as antithrombotic agents.

PubMed: 16524727
DOI: 10.1016/j.bmcl.2006.02.052

実験手法

X-RAY DIFFRACTION (2.6 Å)