4XH6

Crystal structure of proto-oncogene kinase Pim1 bound to hispidulin

4XH6 の概要

• エントリーDOI: 10.2210/pdb4xh6/pdb
• 分子名称: Serine/threonine-protein kinase pim-1, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one (3 entities in total)
• 機能のキーワード: pim1, hispidulin, inhibitor, kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 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: 34263.78

構造登録者

Su, M.-Y.,Chang, C.-I. (登録日: 2015-01-05, 公開日: 2015-08-26, 最終更新日: 2023-11-08)

主引用文献

Chao, S.-W.,Su, M.-Y.,Chiou, L.-C.,Chen, L.-C.,Chang, C.-I.,Huang, W.-J.
Total Synthesis of Hispidulin and the Structural Basis for Its Inhibition of Proto-oncogene Kinase Pim-1
J.Nat.Prod., 78:1969-1976, 2015

PubMed Abstract: A new method is applied to synthesize hispidulin, a natural flavone with a broad spectrum of biological activities. Hispidulin exhibits inhibitory activity against the oncogenic protein kinase Pim-1. Crystallographic analysis of Pim-1 bound to hispidulin reveals a binding mode distinct from that of quercetin, suggesting that the binding potency of flavonoids is determined by their hydrogen-bonding interactions with the hinge region of the kinase. Overall, this work may facilitate construction of a library of hispidulin-derived compounds for investigating the structure-activity relationship of flavone-based Pim-1 inhibitors.

PubMed: 26275107
DOI: 10.1021/acs.jnatprod.5b00324

実験手法

X-RAY DIFFRACTION (2.04 Å)