6SFJ

Crystal structure of p38 alpha in complex with compound 77 (MCP41)

6SFJ の概要

• エントリーDOI: 10.2210/pdb6sfj/pdb
• 分子名称: Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide (3 entities in total)
• 機能のキーワード: p38a, mapk, mapk14, kinase inhibitor, structural genomics, structural genomics consortium, sgc, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 41896.83

構造登録者

Chaikuad, A.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2019-08-01, 公開日: 2019-09-11, 最終更新日: 2024-01-24)

• 主引用文献: Rohm, S.,Berger, B.T.,Schroder, M.,Chaikuad, A.,Winkel, R.,Hekking, K.F.W.,Benningshof, J.J.C.,Muller, G.,Tesch, R.,Kudolo, M.,Forster, M.,Laufer, S.,Knapp, S.; Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors.; J.Med.Chem., 62:10757-10782, 2019; PubMed: 31702918; DOI: 10.1021/acs.jmedchem.9b01227

実験手法

X-RAY DIFFRACTION (1.95 Å)