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: 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)
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8gfx
Q-score: 0.573
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)