7ZUN

Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone compound

7ZUN の概要

• エントリーDOI: 10.2210/pdb7zun/pdb
• 分子名称: Isoform 2 of Serine/threonine-protein kinase pim-1, (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol (3 entities in total)
• 機能のキーワード: pim1, atp binding, 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: 36251.10

構造登録者

Casale, E. (登録日: 2022-05-12, 公開日: 2022-10-05, 最終更新日: 2024-01-31)

• 主引用文献: Casuscelli, F.,Ardini, E.,Avanzi, N.,Badari, A.,Casale, E.,Disingrini, T.,Donati, D.,Ermoli, A.,Felder, E.R.,Galvani, A.,Isacchi, A.,Menichincheri, M.,Montemartini, M.,Orrenius, C.,Piutti, C.,Salom, B.,Papeo, G.; Stereoselective synthesis of 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as PIM kinase inhibitors inspired from marine alkaloids.; Chirality, 34:1437-1452, 2022; PubMed: 35959859; DOI: 10.1002/chir.23501

実験手法

X-RAY DIFFRACTION (2.5 Å)