KRAS-G12D(1-169) - GDP IN covalent COMPLEX with compound (3S,4R)-8

KRAS-G12D(1-169) - GDP IN covalent COMPLEX with compound (3S,4R)-8 Descriptor: (2~{S})-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-2-(oxan-4-ylmethyl)-4-oxidanylidene-butanoic acid, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... Authors: Ostermann, N. Deposit date: 2025-03-31 Release date: 2025-07-23 Last modified: 2025-08-06 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Promise and Challenge of beta-Lactone Electrophiles to Target Aspartate 12 of Mutant KRAS G12D . J.Med.Chem., 68, 2025KRAS-G12D(1-169)与鸟苷-5'-二磷酸（Guanosine-5'-Diphosphate, GDP）及化合物(3S,4R)-8形成的共价复合物。描述项：(2S)-4-[(1R,5S)-3-[7-(8-乙炔基-7-氟-3-羟基萘-1-基)-8-氟-2-[[(2R,8S)-2-氟-1,2,3,5,6,7-六氢吡咯里嗪-8-基]甲氧基]吡啶并[4,3-d]嘧啶-4-基]-3,8-二氮杂双环[3.2.1]辛烷-8-基]-2-甲基-2-(四氢吡喃-4-基甲基)-4-氧代丁酸、鸟苷-5'-二磷酸，以及GTP酶KRas同工型2B（Isoform 2B of GTPase KRas）……作者：Ostermann, N.提交日期：2025-03-31发布日期：2025-07-23最后修改日期：2025-08-06实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率1.3 Å）引用文献：《靶向突变KRAS G12D天冬氨酸12的β-内酯亲电试剂：机遇与挑战》，《药物化学杂志》，2025年，第68卷