Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125

Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125 Descriptor: (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... Authors: Southall, S.M, Watson, S.P. Deposit date: 2021-06-29 Release date: 2022-06-15 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes. Acs Chem Neurosci, 13, 2022

结合大环抑制剂HTL0028125的降钙素基因相关肽（Calcitonin Gene-Related Peptide, CGRP）受体胞外域异二聚体晶体结构。结构描述：(1S,10R,23E)-12-甲基-10-[(7-甲基-1H-吲唑-5-基)甲基]-15,18,21-三氧杂-5,9,12,27,29-五氮杂五环[23.5.2.1¹,⁴.1³,⁷.0²⁸,³¹]三十四碳-3(33),4,6,23,25(32),26,28(31)-七烯-8,11,30-三酮、麦芽糖/麦芽糖结合蛋白周质蛋白、受体活性修饰蛋白1（Receptor activity-modifying protein 1, RAMP1）、降钙素基因相关肽1型受体、四乙二醇（TETRAETHYLENE GLYCOL）……作者：Southall, S.M、Watson, S.P。保藏日期：2021-06-29，发布日期：2022-06-15，最后修改日期：2024-11-20。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.85埃。引用文献：《降钙素基因相关肽受体新型大环拮抗剂：蛋白质-配体复合物的设计、实现与结构表征》，刊载于《ACS化学神经科学（ACS Chem Neurosci）》，第13卷，2022年。