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)
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 ]
Focused refinement of the Heptahelical transmembrane (7TM) domain of the calcium-sensing receptor
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 ]
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 ]
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 ]
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 ]
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 ]
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)