6J3C

Crystal structure of human DHODH in complex with inhibitor 1291

6J3C の概要

• エントリーDOI: 10.2210/pdb6j3c/pdb
• 分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, SULFATE ION, FLAVIN MONONUCLEOTIDE, ... (7 entities in total)
• 機能のキーワード: dhodh, inhibitor, complex, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase 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: 41361.90

構造登録者

Yu, Y.,Chen, Q. (登録日: 2019-01-04, 公開日: 2019-08-21, 最終更新日: 2024-03-27)

主引用文献

Zeng, T.,Zuo, Z.,Luo, Y.,Zhao, Y.,Yu, Y.,Chen, Q.
A novel series of human dihydroorotate dehydrogenase inhibitors discovered by in vitro screening: inhibition activity and crystallographic binding mode.
Febs Open Bio, 9:1348-1354, 2019

PubMed Abstract: Human dihydroorotate dehydrogenase (DHODH), the enzyme that catalyzes the rate-limiting step in de novo pyrimidine biosynthesis, is considered to be an attractive target for potential treatment of autoimmune disease and cancer. Here, we present a novel class of human DHODH inhibitors with high inhibitory potency. The high-resolution crystal structures of human DHODH complexed with various agents reveal the details of their interactions. Comparisons with the binding modes of teriflunomide and brequinar provide insights that may facilitate the development of new inhibitors targeting human DHODH.

PubMed: 31087527
DOI: 10.1002/2211-5463.12658

実験手法

X-RAY DIFFRACTION (1.851 Å)