7BE4

Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR159

7BE4 の概要

• エントリーDOI: 10.2210/pdb7be4/pdb
• 分子名称: Mitogen-activated protein kinase 14, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide (3 entities in total)
• 機能のキーワード: mapk14, kinase inhibitor, structure-guided design, structural genomics consortium, sgc, 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: 42059.04

構造登録者

Joerger, A.C.,Schroeder, M.,Roehm, S.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2020-12-22, 公開日: 2021-03-03, 最終更新日: 2024-01-31)

• 主引用文献: Rohm, S.,Berger, B.T.,Schroder, M.,Chatterjee, D.,Mathea, S.,Joerger, A.C.,Pinkas, D.M.,Bufton, J.C.,Tjaden, A.,Kovooru, L.,Kudolo, M.,Pohl, C.,Bullock, A.N.,Muller, S.,Laufer, S.,Knapp, S.; Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.; J.Med.Chem., 64:13451-13474, 2021; PubMed: 34506142; DOI: 10.1021/acs.jmedchem.1c00868

実験手法

X-RAY DIFFRACTION (2.1 Å)