1ZMJ

Crystal Structure of the Catalytic Domain of Factor XI in complex with 4-(guanidinomethyl)-phenylboronic acid

1ZMJ の概要

• エントリーDOI: 10.2210/pdb1zmj/pdb
• 分子名称: Coagulation factor XI, SULFATE ION, (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE, ... (5 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: 27315.71

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: 2023-08-23)

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 Å)