8AX5

Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029881

Summary for 8AX5

Entry DOI	10.2210/pdb8ax5/pdb
Related PRD ID	PRD_900001
Descriptor	Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione, ... (5 entities in total)
Functional Keywords	cgrp, cgrpr, ectodomain, ramp, macrocycle, macrocyclic, membrane protein
Biological source	Escherichia coli K-12 More
Total number of polymer chains	1
Total formula weight	67445.71
Authors	Southall, S.M.,Watson, S.P. (deposition date: 2022-08-30, release date: 2022-12-07, Last modification date: 2024-01-31)
Primary citation	Southall, S.M.,Banerjee, J.,Brown, J.,Butkovic, K.,Cansfield, A.D.,Cansfield, J.E.,Congreve, M.S.,Cseke, G.,Deflorian, F.,Hunjadi, M.P.,Hutinec, A.,Inturi, T.K.,Rupcic, R.,Saxty, G.,Watson, S.P. Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13:1776-1782, 2022 Cited by PubMed: 36385934 DOI: 10.1021/acsmedchemlett.2c00400 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.75 Å)

Structure validation