9mni | pdb_00009mni

CGRP Receptor in complex with dC2_050

spinqualitylabelsall models 9mni, resolution 4.06Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 9mni is a 3 chain structure with sequence from Homo sapiens and Synthetic construct. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: Electron Microscopy, Resolution 4.06Å Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function CALRL_HUMAN Receptor for calcitonin-gene-related peptide (CGRP) together with RAMP1 and receptor for adrenomedullin together with RAMP3 (By similarity). Receptor for adrenomedullin together with RAMP2. The activity of this receptor is mediated by G proteins which activate adenylyl cyclase. Publication Abstract from PubMed G protein-coupled receptors (GPCRs) play key roles in physiology and are central targets for drug discovery and development, yet the design of protein agonists and antagonists has been challenging as GPCRs are integral membrane proteins and conformationally dynamic. Here we describe computational de novo design methods and a high throughput "receptor diversion" microscopy-based screen for generating GPCR binding miniproteins with high affinity, potency and selectivity, and the use of these methods to generate MRGPRX1 agonists and CXCR4, GLP1R, GIPR, GCGR and CGRPR antagonists. Cryo-electron microscopy data reveals atomic-level agreement between designed and experimentally determined structures for CGRPR-bound antagonists and MRGPRX1-bound agonists, confirming precise conformational control of receptor function. Our de novo design and screening approach opens new frontiers in GPCR drug discovery and development. De novo design of miniprotein agonists and antagonists targeting G protein-coupled receptors.,Muratspahic E, Feldman D, Kim DE, Qu X, Bratovianu AM, Rivera-Sanchez P, Dimitri F, Cao J, Cary BP, Belousoff MJ, Keov P, Chen Q, Ren Y, Fine J, Sappington I, Schlichthaerle T, Zhang JZ, Pillai A, Mihaljevic L, Bauer M, Torres SV, Motmaen A, Lee GR, Tran L, Wang X, Goreshnik I, Vafeados DK, Svendsen JE, Hosseinzadeh P, Lindegaard N, Brandt M, Waltenspuhl Y, Deibler K, Oostdyk L, Cao W, Anantharaman L, Stewart L, Halloran L, Spangler JB, Sexton PM, Roth BL, Krumm BE, Wootten D, Tate CG, Norn C, Baker D bioRxiv [Preprint]. 2025 Jun 5:2025.03.23.644666. doi: 10.1101/2025.03.23.644666. PMID:40501737 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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