Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM697 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(6-(trifluoromethyl)-1H-indol-3-yl)-1H-pyrrole-2-carboxamide)
收藏Protein Data Bank Japan2023-10-18 更新2026-03-21 收录
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Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM697 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(6-(trifluoromethyl)-1H-indol-3-yl)-1H-pyrrole-2-carboxamide) Descriptor: 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... Authors: Deng, X, Phillips, M, Tomchick, D. Deposit date: 2020-12-09 Release date: 2021-05-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
恶性疟原虫（Plasmodium falciparum）二氢乳清酸脱氢酶（dihydroorotate dehydrogenase）与抑制剂DSM697（3-甲基-N-(1-(5-甲基异恶唑-3-基)乙基)-4-(6-(三氟甲基)-1H-吲哚-3-基)-1H-吡咯-2-甲酰胺）结合的晶体结构 描述：3-甲基-N-[(1R)-1-(5-甲基-1,2-恶唑-3-基)乙基]-4-[6-(三氟甲基)-1H-吲哚-3-基]-1H-吡咯-2-甲酰胺，线粒体醌依赖型二氢乳清酸脱氢酶，……
作者：邓（X）、菲利普斯（M）、托米奇克（D）
沉积日期：2020-12-09
发布日期：2021-05-19
最后修改日期：2023-10-18
实验方法：X射线衍射（2 Å）
参考文献：《通过基于结构的计算优化吡咯类二氢乳清酸脱氢酶抑制剂系列发现具有开发潜力的强效抗疟药》，《药物化学杂志》，64卷，2021年
创建时间：
2020-12-09
