Complex of human cystic fibrosis transmembrane conductance regulator (CFTR) and Z1834339853
Resolution: 3.8 Å
EM Method: Single-particle
Fitted PDBs: 8gls
Q-score: 0.442
Liu F, Kaplan AL, Levring J, Einsiedel J, Tiedt S, Distler K, Omattage NS, Kondratov IS, Moroz YS, Pietz HL, Irwin JJ, Gmeiner P, Shoichet BK, Chen J
Cell (2024) 187 pp. 3712-3725.e34 [ Pubmed: 38810646 DOI: doi:10.1016/j.cell.2024.04.046 ]
- Cftr (Cellular component from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- (2s)-1-(3-amino-6-fluoro-1h-indazol-1-yl)-2-methyl-3-phenoxypropan-1-one (313 Da, Ligand)
- Human cystic fibrosis transmembrane conductance regulator (1 kDa, Protein from Homo sapiens)
- Cystic fibrosis transmembrane conductance regulator (168 kDa, Protein from Homo sapiens)
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 [ Pubmed: 38753765 DOI: doi:10.1126/science.adn6354 ]
- 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)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 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)
- G protein subunit q (gi2-mini-gq chimera) (28 kDa, Protein from Homo sapiens)
- 5-hydroxytryptamine receptor 2a (38 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 [ Pubmed: 38753765 DOI: doi:10.1126/science.adn6354 ]
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- G protein alpha-subunit q (gi2-mini-gq chimera) (28 kDa, Protein from Homo sapiens)
- 4-{(3r)-1-[(1r)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol (283 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Single-chain variable fragment 16 (scfv16) (30 kDa, Protein from Homo sapiens)
- 5-hydroxytryptamine receptor 2a (38 kDa, Protein from Homo sapiens)
- Active state complex of 5ht2ar with mini-gq heterotrimer stabilized by scfv16 (Complex from Homo sapiens)
Resolution: 3.47 Å
EM Method: Single-particle
Fitted PDBs: 7w6p
Q-score: 0.056
Fink EA, Xu J, Hubner H, Braz JM, Seemann P, Avet C, Craik V, Weikert D, Schmidt MF, Webb CM, Tolmachova NA, Moroz YS, Huang XP, Kalyanaraman C, Gahbauer S, Chen G, Liu Z, Jacobson MP, Irwin JJ, Bouvier M, Du Y, Shoichet BK, Basbaum AI, Gmeiner P
Science (2022) 377 pp. eabn7065-eabn7065 [ Pubmed: 36173843 DOI: doi:10.1126/science.abn7065 ]
- Alpha-2a adrenergic receptor (50 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (38 kDa, Protein from Homo sapiens)
- Signaling complex of alpha2a adrenergic receptor with goa (Complex from Homo sapiens)
- Scfv (32 kDa, Protein from Mus musculus)
- Guanine nucleotide-binding protein g(o) subunit alpha (40 kDa, Protein from Homo sapiens)
- N-pyridin-4-ylisoquinolin-4-amine (221 Da, Ligand)
Cryo-EM structure of the alpha2A adrenergic receptor GoA signaling complex bound to a biased agonist
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 7w7e
Q-score: 0.466
Fink EA, Xu J, Hubner H, Braz JM, Seemann P, Avet C, Craik V, Weikert D, Schmidt MF, Webb CM, Tolmachova NA, Moroz YS, Huang XP, Kalyanaraman C, Gahbauer S, Chen G, Liu Z, Jacobson MP, Irwin JJ, Bouvier M, Du Y, Shoichet BK, Basbaum AI, Gmeiner P
Science (2022) 377 pp. eabn7065-eabn7065 [ Pubmed: 36173843 DOI: doi:10.1126/science.abn7065 ]
- Alpha-2a adrenergic receptor (50 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (38 kDa, Protein from Homo sapiens)
- 5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine (185 Da, Ligand)
- Signaling complex of alpha2a adrenergic receptor with goa (Complex from Homo sapiens)
- Scfv (32 kDa, Protein from Mus musculus)
- Guanine nucleotide-binding protein g(o) subunit alpha (40 kDa, Protein from Homo sapiens)
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 [ Pubmed: 36171289 DOI: doi:10.1038/s41586-022-05258-z ]
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 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)
- Single-chain variable fragment 16 (scfv16) (30 kDa, Protein from Homo sapiens)
- G protein subunit q (gi2-mini-gq chimera) (28 kDa, Protein from Homo sapiens)
- 5-hydroxytryptamine receptor 2a (38 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)