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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. Among authors: kim y, kim k. Science. 2024 Jun 21;384(6702):eadn6354. doi: 10.1126/science.adn6354. Epub 2024 Jun 21. Science. 2024. PMID: 38753765
Bespoke library docking for 5-HT2A receptor agonists with antidepressant activity.
Kaplan AL, Confair DN, Kim K, Barros-Álvarez X, Rodriguiz RM, Yang Y, Kweon OS, Che T, McCorvy JD, Kamber DN, Phelan JP, Martins LC, Pogorelov VM, DiBerto JF, Slocum ST, Huang XP, Kumar JM, Robertson MJ, Panova O, Seven AB, Wetsel AQ, Wetsel WC, Irwin JJ, Skiniotis G, Shoichet BK, Roth BL, Ellman JA. Kaplan AL, et al. Among authors: kim k. Nature. 2022 Oct;610(7932):582-591. doi: 10.1038/s41586-022-05258-z. Epub 2022 Sep 28. Nature. 2022. PMID: 36171289 Free PMC article.
AlphaFold2 structures template 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, Tummino TA, Huang S, Irwin JJ, Tarkhanova OO, Moroz Y, Skiniotis G, Kruse AC, Shoichet BK, Roth BL. Lyu J, et al. Among authors: kim y, kim k. bioRxiv [Preprint]. 2024 Mar 13:2023.12.20.572662. doi: 10.1101/2023.12.20.572662. bioRxiv. 2024. Update in: Science. 2024 Jun 21;384(6702):eadn6354. doi: 10.1126/science.adn6354. PMID: 38187536 Free PMC article. Updated. Preprint.
Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor.
Kim K, Che T, Panova O, DiBerto JF, Lyu J, Krumm BE, Wacker D, Robertson MJ, Seven AB, Nichols DE, Shoichet BK, Skiniotis G, Roth BL. Kim K, et al. Cell. 2020 Sep 17;182(6):1574-1588.e19. doi: 10.1016/j.cell.2020.08.024. Cell. 2020. PMID: 32946782 Free PMC article.
Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD.
Cao C, Barros-Álvarez X, Zhang S, Kim K, Dämgen MA, Panova O, Suomivuori CM, Fay JF, Zhong X, Krumm BE, Gumpper RH, Seven AB, Robertson MJ, Krogan NJ, Hüttenhain R, Nichols DE, Dror RO, Skiniotis G, Roth BL. Cao C, et al. Among authors: kim k. Neuron. 2022 Oct 5;110(19):3154-3167.e7. doi: 10.1016/j.neuron.2022.08.006. Epub 2022 Sep 9. Neuron. 2022. PMID: 36087581 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. Among authors: kim k. 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.
Nanobody-enabled monitoring of kappa opioid receptor states.
Che T, English J, Krumm BE, Kim K, Pardon E, Olsen RHJ, Wang S, Zhang S, Diberto JF, Sciaky N, Carroll FI, Steyaert J, Wacker D, Roth BL. Che T, et al. Among authors: kim k. Nat Commun. 2020 Mar 2;11(1):1145. doi: 10.1038/s41467-020-14889-7. Nat Commun. 2020. PMID: 32123179 Free PMC article.
Molecular mechanism of biased signaling at the kappa opioid receptor.
El Daibani A, Paggi JM, Kim K, Laloudakis YD, Popov P, Bernhard SM, Krumm BE, Olsen RHJ, Diberto J, Carroll FI, Katritch V, Wünsch B, Dror RO, Che T. El Daibani A, et al. Among authors: kim k. Nat Commun. 2023 Mar 11;14(1):1338. doi: 10.1038/s41467-023-37041-7. Nat Commun. 2023. PMID: 36906681 Free PMC article.
Constitutive activation mechanism of a class C GPCR.
Shin J, Park J, Jeong J, Lam JH, Qiu X, Wu D, Kim K, Lee JY, Robinson CV, Hyun J, Katritch V, Kim KP, Cho Y. Shin J, et al. Among authors: kim kp, kim k. Nat Struct Mol Biol. 2024 Apr;31(4):678-687. doi: 10.1038/s41594-024-01224-7. Epub 2024 Feb 8. Nat Struct Mol Biol. 2024. PMID: 38332368
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