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Page 1
The structure, function, and pharmacology of MRGPRs.
Cao C, Roth BL. Cao C, et al. Trends Pharmacol Sci. 2023 Apr;44(4):237-251. doi: 10.1016/j.tips.2023.02.002. Epub 2023 Mar 2. Trends Pharmacol Sci. 2023. PMID: 36870785 Free PMC article. Review.
AlphaFold2 structures guide prospective ligand discovery.
Lyu J, Kapolka N, Gumpper R, Alon A, Wang L, Jain MK, Barros-Álvarez X, Sakamoto K, Kim Y, DiBerto J, Kim K, Glenn IS, Tummino TA, Huang S, Irwin JJ, Tarkhanova OO, Moroz Y, Skiniotis G, Kruse AC, Shoichet BK, Roth BL. Lyu J, et al. Science. 2024 Jun 21;384(6702):eadn6354. doi: 10.1126/science.adn6354. Epub 2024 Jun 21. Science. 2024. PMID: 38753765 Free PMC article.
Structure, function and pharmacology of human itch GPCRs.
Cao C, Kang HJ, Singh I, Chen H, Zhang C, Ye W, Hayes BW, Liu J, Gumpper RH, Bender BJ, Slocum ST, Krumm BE, Lansu K, McCorvy JD, Kroeze WK, English JG, DiBerto JF, Olsen RHJ, Huang XP, Zhang S, Liu Y, Kim K, Karpiak J, Jan LY, Abraham SN, Jin J, Shoichet BK, Fay JF, Roth BL. Cao C, et al. Nature. 2021 Dec;600(7887):170-175. doi: 10.1038/s41586-021-04126-6. Epub 2021 Nov 17. Nature. 2021. PMID: 34789874 Free PMC article.
Structure-based design of bitopic ligands for the µ-opioid receptor.
Faouzi A, Wang H, Zaidi SA, DiBerto JF, Che T, Qu Q, Robertson MJ, Madasu MK, El Daibani A, Varga BR, Zhang T, Ruiz C, Liu S, Xu J, Appourchaux K, Slocum ST, Eans SO, Cameron MD, Al-Hasani R, Pan YX, Roth BL, McLaughlin JP, Skiniotis G, Katritch V, Kobilka BK, Majumdar S. Faouzi A, et al. Nature. 2023 Jan;613(7945):767-774. doi: 10.1038/s41586-022-05588-y. Epub 2022 Nov 30. Nature. 2023. PMID: 36450356 Free PMC article.
High-affinity agonists reveal recognition motifs for the MRGPRD GPCR.
Wang C, Liu Y, Lanier M, Yeager A, Singh I, Gumpper RH, Krumm BE, DeLeon C, Zhang S, Boehm M, Pittner R, Baron A, Dvorak L, Bacon C, Shoichet BK, Martinborough E, Fay JF, Cao C, Roth BL. Wang C, et al. Cell Rep. 2024 Dec 24;43(12):114942. doi: 10.1016/j.celrep.2024.114942. Epub 2024 Nov 23. Cell Rep. 2024. PMID: 39580805 Free PMC article.
De novo design of miniprotein agonists and antagonists targeting G protein-coupled receptors.
Muratspahić E, Feldman D, Kim DE, Qu X, Bratovianu AM, Rivera-Sánchez 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, Mihaljević 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, Waltenspühl 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. Muratspahić E, et al. bioRxiv [Preprint]. 2025 Jun 5:2025.03.23.644666. doi: 10.1101/2025.03.23.644666. bioRxiv. 2025. PMID: 40501737 Free PMC article. Preprint.