Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8uwl
Q-score: 0.572
Lyu J, Kapolka N, Gumpper R, Alon A, Wang L, Jain MK, Barros-Alvarez 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
Science (2024) 384 pp. eadn6354-eadn6354 [ DOI: doi:10.1126/science.adn6354 Pubmed: 38753765 ]
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- 5-hydroxytryptamine receptor 2a (38 kDa, Protein from Homo sapiens)
- G protein subunit q (gi2-mini-gq chimera) (28 kDa, Protein from Homo sapiens)
- 5-ht2ar bound to lisuride in complex with heterotrimeric mini-gq protein and single-chain variable fragment (scfv16) (Complex from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- N,n-diethyl-n'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea (338 Da, Ligand)
- Single-chain variable fragment 16 (scfv16) (30 kDa, Protein from Homo sapiens)
5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8v6u
Q-score: 0.54
Lyu J, Kapolka N, Gumpper R, Alon A, Wang L, Jain MK, Barros-Alvarez 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
Science (2024) 384 pp. eadn6354-eadn6354 [ DOI: doi:10.1126/science.adn6354 Pubmed: 38753765 ]
- Single-chain variable fragment 16 (scfv16) (30 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Active state complex of 5ht2ar with mini-gq heterotrimer stabilized by scfv16 (Complex from Homo sapiens)
- 5-hydroxytryptamine receptor 2a (38 kDa, Protein from Homo sapiens)
- G protein alpha-subunit q (gi2-mini-gq chimera) (28 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- 4-{(3r)-1-[(1r)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol (283 Da, Ligand)
Levit A, 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
Nature (2022) 610 pp. 582-591 [ DOI: 10.1038/s41586-022-05258-z Pubmed: 36171289 ]
Image sets:
5-HT2B receptor bound to LSD obtained by cryo-electron microscopy (cryoEM)
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
Neuron (2022) 110 pp. 3154-3167.e7 [ DOI: 10.1016/j.neuron.2022.08.006 Pubmed: 36087581 ]
Image sets:
LPHN3 (ADGRL3) 7TM domain bound to tethered agonist in complex with G protein heterotrimer
Barros-Álvarez X, Nwokonko RM, Vizurraga A, Matzov D, He F, Papasergi-Scott MM, Robertson MJ, Panova O, Yardeni EH, Seven AB, Kwarcinski FE, Su H, Peroto MC, Meyerowitz JG, Shalev-Benami M, Tall GG, Skiniotis G
Nature (2022) 604 pp. 757-762 [ DOI: 10.1038/s41586-022-04575-7 Pubmed: 35418682 ]
Image sets:
GPR56 (ADGRG1) 7TM domain bound to tethered agonist in complex with G protein heterotrimer
Barros-Álvarez X, Nwokonko RM, Vizurraga A, Matzov D, He F, Papasergi-Scott MM, Robertson MJ, Panova O, Yardeni EH, Seven AB, Kwarcinski FE, Su H, Peroto MC, Meyerowitz JG, Shalev-Benami M, Tall GG, Skiniotis G
Nature (2022) 604 pp. 757-762 [ DOI: 10.1038/s41586-022-04575-7 Pubmed: 35418682 ]
Image sets:
5-HT2B receptor bound to LSD obtained by cryo-electron microscopy (cryoEM)
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 7srq
Q-score: 0.446
Cao C, Barros-Alvarez X, Zhang S, Kim K, Damgen MA, Panova O, Suomivuori CM, Fay JF, Zhong X, Krumm BE, Gumpper RH, Seven AB, Robertson MJ, Krogan NJ, Huttenhain R, Nichols DE, Dror RO, Skiniotis G, Roth BL
Neuron (2022) 110 pp. 3154- [ Pubmed: 36087581 DOI: doi:10.1016/j.neuron.2022.08.006 ]
- 5-hydroxytryptamine receptor 2b (35 kDa, Protein from Homo sapiens)
- 5-ht2b receptor bound to lsd (Complex from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- (8alpha)-n,n-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide (323 Da, Ligand)
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 7srr
Q-score: 0.564
Cao C, Barros-Alvarez X, Zhang S, Kim K, Damgen MA, Panova O, Suomivuori CM, Fay JF, Zhong X, Krumm BE, Gumpper RH, Seven AB, Robertson MJ, Krogan NJ, Huttenhain R, Nichols DE, Dror RO, Skiniotis G, Roth BL
Neuron (2022) 110 pp. 3154- [ Pubmed: 36087581 DOI: doi:10.1016/j.neuron.2022.08.006 ]
- 5-ht2b receptor bound to lsd in complex with heterotrimeric mini-gq protein and single-chain variable fragment (scfv16) (Complex from Homo sapiens)
- Single-chain variable fragment 16 (scfv16) (30 kDa, Protein from Homo sapiens)
- 5-hydroxytryptamine receptor 2b (41 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- (8alpha)-n,n-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide (323 Da, Ligand)
- G protein subunit q (gi2-mini-gq chimera) (28 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 7srs
Q-score: 0.523
Cao C, Barros-Alvarez X, Zhang S, Kim K, Damgen MA, Panova O, Suomivuori CM, Fay JF, Zhong X, Krumm BE, Gumpper RH, Seven AB, Robertson MJ, Krogan NJ, Huttenhain R, Nichols DE, Dror RO, Skiniotis G, Roth BL
Neuron (2022) 110 pp. 3154- [ Pubmed: 36087581 DOI: doi:10.1016/j.neuron.2022.08.006 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 5-ht2b receptor bound to lsd in complex with beta-arrestin1 (Complex)
- 5-hydroxytryptamine receptor 2b (37 kDa, Protein from Homo sapiens)
- Anti-5ht2br fab light chain (22 kDa, Protein from Mus musculus)
- Fab30 heavy chain (13 kDa, Protein from Mus musculus)
- Isoform 1b of beta-arrestin-1 (41 kDa, Protein from Homo sapiens)
- (8alpha)-n,n-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide (323 Da, Ligand)
- Anti-5ht2br fab heavy chain (23 kDa, Protein from Mus musculus)
- Fab30 light chain (11 kDa, Protein from Mus musculus)
Resolution: 3.45 Å
EM Method: Single-particle
Fitted PDBs: 7ran
Q-score: 0.49
Kaplan AL, Confair DN, Kim K, Barros-Alvarez 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
Nature (2022) 610 pp. 582-591 [ DOI: doi:10.1038/s41586-022-05258-z Pubmed: 36171289 ]
- Single-chain variable fragment 16 (scfv16) (30 kDa, Protein from Homo sapiens)
- (3r)-3-methyl-5-(1h-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium (214 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- 5-hydroxytryptamine receptor 2a (38 kDa, Protein from Homo sapiens)
- G protein subunit q (gi2-mini-gq chimera) (28 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- 5-ht2ar bound to a tetrahydropyridine agonist (r-69) in complex with heterotrimeric mini-gq protein and single-chain variable fragment (scfv16) (Complex from Homo sapiens)