1ZMN

Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine

1ZMN の概要

• エントリーDOI: 10.2210/pdb1zmn/pdb
• 関連するPDBエントリー: 1ZMJ 1ZML
• 分子名称: Coagulation factor XI, SULFATE ION, (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE, ... (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: 27275.60

構造登録者

Lazarova, T.I.,Jin, L.,Rynkiewicz, M.J.,Gorga, J.C.,Bibbins, F.,Meyers, H.V.,Babine, R.E.,Strickler, J.E. (登録日: 2005-05-10, 公開日: 2006-05-09, 最終更新日: 2024-10-16)

主引用文献

Lazarova, T.I.,Jin, L.,Rynkiewicz, M.,Gorga, J.C.,Bibbins, F.,Meyers, H.V.,Babine, R.,Strickler, J.
Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 16:5022-5027, 2006

PubMed Abstract: A series of functionalized aryl boronic acids were synthesized and evaluated as potential inhibitors of factor XIa. Crystal structures of the protein-inhibitor complexes led to the design and synthesis of second generation compounds showing single digit micromolar inhibition against FXIa and selectivity against thrombin, trypsin, and FXa.

PubMed: 16876411
DOI: 10.1016/j.bmcl.2006.07.043

実験手法

X-RAY DIFFRACTION (2.05 Å)