5R9C

PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14074a in complex with MAP kinase p38-alpha

5R9C の概要

• エントリーDOI: 10.2210/pdb5r9c/pdb
• Group deposition: PanDDA analysis group deposition Form1 MAP kinase p38-alpha (G_1002145)
• 分子名称: Mitogen-activated protein kinase 14, 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, CHLORIDE ION, ... (7 entities in total)
• 機能のキーワード: p38, mapk14, kinase, transferase, sgc - diamond i04-1 fragment screening, pandda, xchemexplorer
• 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: 41934.56

構造登録者

De Nicola, G.F.,Nichols, C.E. (登録日: 2020-03-04, 公開日: 2020-07-22, 最終更新日: 2024-03-06)

• 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 (1.74 Å)