3MQE

Structure of SC-75416 bound at the COX-2 active site

3MQE の概要

• エントリーDOI: 10.2210/pdb3mqe/pdb
• 関連するPDBエントリー: 1PXX 3LN1
• 関連するBIRD辞書のPRD_ID: PRD_900017
• 分子名称: Prostaglandin G/H synthase 2, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... (7 entities in total)
• 機能のキーワード: cox2, cox-2, pgh2s-2, cyclooxygenase-2, dioxygenase, disulfide bond, endoplasmic reticulum, fatty acid biosynthesis, glycoprotein, heme, iron, lipid synthesis, membrane, metal-binding, microsome, oxidoreductase, peroxidase, phosphoprotein, prostaglandin biosynthesis
• 由来する生物種: Mus musculus (mouse)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 278000.44

構造登録者

Wang, J.L.,Limburg, D.,Graneto, M.J.,Springer, J.,Rogier, J.,Kiefer, J.R. (登録日: 2010-04-28, 公開日: 2010-10-27, 最終更新日: 2020-07-29)

• 主引用文献: Wang, J.L.,Limburg, D.,Graneto, M.J.,Springer, J.,Hamper, J.R.,Liao, S.,Pawlitz, J.L.,Kurumbail, R.G.,Maziasz, T.,Talley, J.J.,Kiefer, J.R.,Carter, J.; The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.; Bioorg.Med.Chem.Lett., 20:7159-7163, 2010; PubMed: 20709553; DOI: 10.1016/j.bmcl.2010.07.054

実験手法

X-RAY DIFFRACTION (2.8 Å)