7CBX

Crystal structure of MAP2K7 complexed with a covalent inhibitor 12

7CBX の概要

• エントリーDOI: 10.2210/pdb7cbx/pdb
• 分子名称: Dual specificity mitogen-activated protein kinase kinase 7, 3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: protein kinase, inhibitor, 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: 37288.10

構造登録者

Kinoshita, T.,Murakawa, Y. (登録日: 2020-06-15, 公開日: 2020-09-30, 最終更新日: 2023-11-29)

主引用文献

Murakawa, Y.,Valter, S.,Barr, H.,London, N.,Kinoshita, T.
Structural basis for producing selective MAP2K7 inhibitors.
Bioorg.Med.Chem.Lett., 30:127546-127546, 2020

PubMed Abstract: Mitogen-activated protein kinase kinase 7 (MAP2K7) in the c-Jun N-terminal kinase signal cascade is an attractive drug target for a variety of diseases. The selectivity of MAP2K7 inhibitors against off-target kinases is a major barrier in drug development. We report a crystal structure of MAP2K7 complexed with a potent covalent inhibitor bearing an acrylamide moiety as an electrophile, which discloses a structural basis for producing selective and potent MAP2K7 inhibitors.

PubMed: 32931911
DOI: 10.1016/j.bmcl.2020.127546

実験手法

X-RAY DIFFRACTION (2.061 Å)