2B0M

Human dihydroorotate dehydrogenase bound to a novel inhibitor

2B0M の概要

• エントリーDOI: 10.2210/pdb2b0m/pdb
• 関連するPDBエントリー: 1D3G 1D3H 1F76 1TV5 1UUM 1UUO
• 分子名称: Dihydroorotate dehydrogenase, mitochondrial, 3-AMIDO-5-BIPHENYL-BENZOIC ACID, FLAVIN MONONUCLEOTIDE, ... (5 entities in total)
• 機能のキーワード: tim barrel; alpha/beta barrel, oxidoreductase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Mitochondrion inner membrane; Single-pass membrane protein: Q02127
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43939.66

構造登録者

Hurt, D.E.,Sutton, A.E.,Clardy, J. (登録日: 2005-09-14, 公開日: 2005-09-27, 最終更新日: 2023-08-23)

主引用文献

Hurt, D.E.,Sutton, A.E.,Clardy, J.
Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase.
Bioorg.Med.Chem.Lett., 16:1610-1615, 2006

PubMed Abstract: Therapeutic agents brequinar sodium and leflunomide (Arava) work by binding in a hydrophobic tunnel formed by a highly variable N-terminus of family 2 dihydroorotate dehydrogenase (DHODH). The X-ray crystallographic structure of an analog of brequinar bound to human DHODH was determined. In silico screening of a library of compounds suggested another subset of brequinar analogs that do not inhibit human DHODH as potentially effective inhibitors of Plasmodium falciparum DHODH.

PubMed: 16406782
DOI: 10.1016/j.bmcl.2005.12.029

実験手法

X-RAY DIFFRACTION (2 Å)