Crystal Structure of Human IDH1 R132Q in Complex with NADPH-TCEP Adduct

Crystal Structure of Human IDH1 R132Q in Complex with NADPH-TCEP Adduct Descriptor: 3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid, CALCIUM ION, CHLORIDE ION, ... Authors: Mealka, M, Sohl, C.D, Huxford, T. Deposit date: 2023-12-31 Release date: 2024-04-24 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.16 Å) Cite: Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024人源异柠檬酸脱氢酶1（Isocitrate Dehydrogenase 1, IDH1）R132Q突变体与NADPH-TCEP加合物的共晶晶体结构描述：3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-氨基-9H-嘌呤-9-基)-3-羟基-4-(膦酰氧基)氧杂环戊烷-2-基]甲氧基}(羟基)磷酰]氧基}(羟基)磷酰]氧基}甲基)-3,4-二羟基氧杂环戊烷-2-基]-3-氨基甲酰-1,4-二氢吡啶-4-基}-λ⁵-膦三基)三丙酸、钙离子、氯离子等。作者：Mealka, M、Sohl, C.D、Huxford, T. 存档日期：2023年12月31日，发布日期：2024年4月24日，最后修改日期：2024年5月22日。实验方法：X射线衍射（分辨率2.16埃）。引用文献：肿瘤相关IDH1突变体的活性位点重塑驱动独特的动力学特征与潜在耐药机制。《自然-通讯》（Nature Communications）, 15, 2024