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5FI8

Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine)

5FI8 の概要
エントリーDOI10.2210/pdb5fi8/pdb
分子名称Dihydroorotate dehydrogenase (quinone), mitochondrial, 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, FLAVIN MONONUCLEOTIDE, ... (6 entities in total)
機能のキーワードfmn, alpha/beta barrel, inhibitor, oxidoreductase / oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
由来する生物種Plasmodium falciparum (isolate 3D7)
タンパク質・核酸の鎖数1
化学式量合計46650.03
構造登録者
Deng, X.,Kokkonda, S.,Tomchick, D.,Phillips, M. (登録日: 2015-12-22, 公開日: 2016-05-18, 最終更新日: 2023-09-27)
主引用文献Kokkonda, S.,Deng, X.,White, K.L.,Coteron, J.M.,Marco, M.,de Las Heras, L.,White, J.,El Mazouni, F.,Tomchick, D.R.,Manjalanagara, K.,Rudra, K.R.,Chen, G.,Morizzi, J.,Ryan, E.,Kaminsky, W.,Leroy, D.,Martinez-Martinez, M.S.,Jimenez-Diaz, M.B.,Bazaga, S.F.,Angulo-Barturen, I.,Waterson, D.,Burrows, J.N.,Matthews, D.,Charman, S.A.,Phillips, M.A.,Rathod, P.K.
Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.
J.Med.Chem., 59:5416-5431, 2016
Cited by
PubMed: 27127993
DOI: 10.1021/acs.jmedchem.6b00275
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (2.32 Å)
構造検証レポート
Validation report summary of 5fi8
検証レポート(詳細版)ダウンロードをダウンロード

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件を2024-07-31に公開中

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