6SPL

Fragment KCL615 in complex with MAP kinase p38-alpha

6SPL の概要

• エントリーDOI: 10.2210/pdb6spl/pdb
• 分子名称: Mitogen-activated protein kinase 14, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... (6 entities in total)
• 機能のキーワード: fbdd, fragment based drug design, p38, mapk14, kinase, transferase., transferase
• 由来する生物種: Mus musculus (Mouse)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 42410.41

構造登録者

Nichols, C.E.,De Nicola, G.F. (登録日: 2019-09-01, 公開日: 2019-10-02, 最終更新日: 2024-01-24)

• 主引用文献: Nichols, C.,Ng, J.,Keshu, A.,Kelly, G.,Conte, M.R.,Marber, M.S.,Fraternali, F.,De Nicola, G.F.; Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.; J.Med.Chem., 63:7559-7568, 2020; PubMed: 32543856; DOI: 10.1021/acs.jmedchem.0c00403

実験手法

X-RAY DIFFRACTION (1.38 Å)