5VUA

Pim1 Kinase in complex with a benzofuranone inhibitor

5VUA の概要

• エントリーDOI: 10.2210/pdb5vua/pdb
• 分子名称: Serine/threonine-protein kinase pim-1, GLYCEROL, PHOSPHATE ION, ... (5 entities in total)
• 機能のキーワード: pim1 kinase, kinase inhibitor, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Isoform 2: Cytoplasm. Isoform 1: Cell membrane: P11309
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34765.23

構造登録者

Parker, L.J. (登録日: 2017-05-18, 公開日: 2017-12-13, 最終更新日: 2024-03-20)

• 主引用文献: Watanabe, C.,Watanabe, H.,Fukuzawa, K.,Parker, L.J.,Okiyama, Y.,Yuki, H.,Yokoyama, S.,Nakano, H.,Tanaka, S.,Honma, T.; Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach; J Chem Inf Model, 57:2996-3010, 2017; PubMed: 29111719; DOI: 10.1021/acs.jcim.7b00110

実験手法

X-RAY DIFFRACTION (2.2 Å)