Structure of Calcium-Sensing Receptor in complex with positive allosteric modulator '6218
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 9c1p
Q-score: 0.568
Liu F, Wu CG, Tu CL, Glenn I, Meyerowitz J, Kaplan AL, Lyu J, Cheng Z, Tarkhanova OO, Moroz YS, Irwin JJ, Chang W, Shoichet BK, Skiniotis G
Science (2024) 385 pp. eado1868-eado1868 [ DOI: doi:10.1126/science.ado1868 Pubmed: 39298584 ]
- Phosphate ion (94 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Tryptophan (204 Da, Ligand)
- Calcium-sensing receptor bound to compound '6218 (Complex from Homo sapiens)
- Extracellular calcium-sensing receptor (105 kDa, Protein from Homo sapiens)
- (5r)-n-[2-(1,2-benzothiazol-3-yl)ethyl]-1-methyl-2,3,4,5-tetrahydro-1h-1-benzazepin-5-amine (337 Da, Ligand)
- Extracellular calcium-sensing receptor (108 kDa, Protein from Homo sapiens)
Structure of Calcium-Sensing Receptor in complex with positive allosteric modulator '54149
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 9c2f
Q-score: 0.553
Liu F, Wu CG, Tu CL, Glenn I, Meyerowitz J, Kaplan AL, Lyu J, Cheng Z, Tarkhanova OO, Moroz YS, Irwin JJ, Chang W, Shoichet BK, Skiniotis G
Science (2024) 385 pp. eado1868-eado1868 [ DOI: doi:10.1126/science.ado1868 Pubmed: 39298584 ]
- Phosphate ion (94 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Tryptophan (204 Da, Ligand)
- Extracellular calcium-sensing receptor (105 kDa, Protein from Homo sapiens)
- Calcium-sensing receptor bound to compound '54149 (Complex from Homo sapiens)
- Extracellular calcium-sensing receptor (108 kDa, Protein from Homo sapiens)
- (1r)-1-(2h-1,3-benzodioxol-4-yl)-n-[2-(1,2-benzothiazol-3-yl)ethyl]ethan-1-amine (326 Da, Ligand)
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)
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 8ge4
Q-score: 0.521
Papasergi-Scott MM, Perez-Hernandez G, Batebi H, Gao Y, Eskici G, Seven AB, Panova O, Hilger D, Casiraghi M, He F, Maul L, Gmeiner P, Kobilka BK, Hildebrand PW, Skiniotis G
Nature (2024) 629 pp. 1182-1191 [ Pubmed: 38480881 DOI: doi:10.1038/s41586-024-07153-1 ]
- Water (18 Da, Ligand)
- (5r,6r)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol (209 Da, Ligand)
- Guanine nucleotide-binding protein g(s) subunit alpha isoforms short (44 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Complex of beta-2 adrenergic receptor and gs heterotrimer (Complex from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Beta-2 adrenergic receptor (51 kDa, Protein from Homo sapiens)
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 8ge6
Q-score: 0.514
Papasergi-Scott MM, Perez-Hernandez G, Batebi H, Gao Y, Eskici G, Seven AB, Panova O, Hilger D, Casiraghi M, He F, Maul L, Gmeiner P, Kobilka BK, Hildebrand PW, Skiniotis G
Nature (2024) 629 pp. 1182-1191 [ Pubmed: 38480881 DOI: doi:10.1038/s41586-024-07153-1 ]
- Water (18 Da, Ligand)
- (5r,6r)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol (209 Da, Ligand)
- Guanine nucleotide-binding protein g(s) subunit alpha isoforms short (44 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Complex of beta-2 adrenergic receptor and gs heterotrimer (Complex from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Beta-2 adrenergic receptor (51 kDa, Protein from Homo sapiens)
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 8ge8
Q-score: 0.497
Papasergi-Scott MM, Perez-Hernandez G, Batebi H, Gao Y, Eskici G, Seven AB, Panova O, Hilger D, Casiraghi M, He F, Maul L, Gmeiner P, Kobilka BK, Hildebrand PW, Skiniotis G
Nature (2024) 629 pp. 1182-1191 [ Pubmed: 38480881 DOI: doi:10.1038/s41586-024-07153-1 ]
- Water (18 Da, Ligand)
- (5r,6r)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol (209 Da, Ligand)
- Guanine nucleotide-binding protein g(s) subunit alpha isoforms short (44 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Complex of beta-2 adrenergic receptor and gs heterotrimer (Complex from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Beta-2 adrenergic receptor (51 kDa, Protein from Homo sapiens)
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 8ge9
Q-score: 0.494
Papasergi-Scott MM, Perez-Hernandez G, Batebi H, Gao Y, Eskici G, Seven AB, Panova O, Hilger D, Casiraghi M, He F, Maul L, Gmeiner P, Kobilka BK, Hildebrand PW, Skiniotis G
Nature (2024) 629 pp. 1182-1191 [ Pubmed: 38480881 DOI: doi:10.1038/s41586-024-07153-1 ]
- Water (18 Da, Ligand)
- (5r,6r)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol (209 Da, Ligand)
- Guanine nucleotide-binding protein g(s) subunit alpha isoforms short (44 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Complex of beta-2 adrenergic receptor and gs heterotrimer (Complex from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Beta-2 adrenergic receptor (51 kDa, Protein from Homo sapiens)
Resolution: 3.7 Å
EM Method: Single-particle
Fitted PDBs: 8gee
Q-score: 0.473
Papasergi-Scott MM, Perez-Hernandez G, Batebi H, Gao Y, Eskici G, Seven AB, Panova O, Hilger D, Casiraghi M, He F, Maul L, Gmeiner P, Kobilka BK, Hildebrand PW, Skiniotis G
Nature (2024) 629 pp. 1182-1191 [ Pubmed: 38480881 DOI: doi:10.1038/s41586-024-07153-1 ]
- Water (18 Da, Ligand)
- (5r,6r)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol (209 Da, Ligand)
- Guanine nucleotide-binding protein g(s) subunit alpha isoforms short (44 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Complex of beta-2 adrenergic receptor and gs heterotrimer (Complex from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Beta-2 adrenergic receptor (51 kDa, Protein from Homo sapiens)
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8gfv
Q-score: 0.565
Papasergi-Scott MM, Perez-Hernandez G, Batebi H, Gao Y, Eskici G, Seven AB, Panova O, Hilger D, Casiraghi M, He F, Maul L, Gmeiner P, Kobilka BK, Hildebrand PW, Skiniotis G
Nature (2024) 629 pp. 1182-1191 [ Pubmed: 38480881 DOI: doi:10.1038/s41586-024-07153-1 ]
- Water (18 Da, Ligand)
- (5r,6r)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol (209 Da, Ligand)
- Guanine nucleotide-binding protein g(s) subunit alpha isoforms short (44 kDa, Protein from Homo sapiens)
- Guanosine-5'-triphosphate (523 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Complex of beta-2 adrenergic receptor and gs heterotrimer with gtp (Complex from Homo sapiens)
- Beta-2 adrenergic receptor (51 kDa, Protein from Homo sapiens)
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8gfw
Q-score: 0.569
Papasergi-Scott MM, Perez-Hernandez G, Batebi H, Gao Y, Eskici G, Seven AB, Panova O, Hilger D, Casiraghi M, He F, Maul L, Gmeiner P, Kobilka BK, Hildebrand PW, Skiniotis G
Nature (2024) 629 pp. 1182-1191 [ Pubmed: 38480881 DOI: doi:10.1038/s41586-024-07153-1 ]
- Water (18 Da, Ligand)
- (5r,6r)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol (209 Da, Ligand)
- Guanine nucleotide-binding protein g(s) subunit alpha isoforms short (44 kDa, Protein from Homo sapiens)
- Guanosine-5'-triphosphate (523 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Complex of beta-2 adrenergic receptor and gtp-bound gs heterotrimer (Complex from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Homo sapiens)
- Beta-2 adrenergic receptor (51 kDa, Protein from Homo sapiens)