6ZHO

Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor

Summary for 6ZHO

• Entry DOI: 10.2210/pdb6zho/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, ~{N}-[(2~{R})-3-(7-methyl-2~{H}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{H}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide, ... (5 entities in total)
• Functional Keywords: gpcr, cgrp, clr, ramp1, ecd, membrane protein, complex
• Biological source: Escherichia coli (strain K12); More
• Total number of polymer chains: 1
• Total formula weight: 67854.21

Authors

Southall, S.M. (deposition date: 2020-06-23, release date: 2020-07-15, Last modification date: 2024-01-24)

• Primary citation: Bucknell, S.J.,Ator, M.A.,Brown, A.J.H.,Brown, J.,Cansfield, A.D.,Cansfield, J.E.,Christopher, J.A.,Congreve, M.,Cseke, G.,Deflorian, F.,Jones, C.R.,Mason, J.S.,O'Brien, M.A.,Ott, G.R.,Pickworth, M.,Southall, S.M.; Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.; J.Med.Chem., 63:7906-7920, 2020; PubMed: 32558564; DOI: 10.1021/acs.jmedchem.0c01003

Experimental method

X-RAY DIFFRACTION (1.6 Å)