Alpha7-nicotinic acetylcholine receptor bound to epibatidine
Resolution: 2.3 Å
EM Method: Single-particle
Fitted PDBs: 8ut1
Q-score: 0.662
Burke SM, Avstrikova M, Noviello CM, Mukhtasimova N, Changeux JP, Thakur GA, Sine SM, Cecchini M, Hibbs RE
Cell (2024) 187 pp. 1160-1176.e21 [ Pubmed: 38382524 DOI: doi:10.1016/j.cell.2024.01.032 ]
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- Neuronal acetylcholine receptor subunit alpha-7,soluble cytochrome b562 fusion (67 kDa, Protein from Homo sapiens)
- Alpha7-nicotinic acetylcholine receptor bound to epibatidine (Complex from Homo sapiens)
- Calcium ion (40 Da, Ligand)
- Water (18 Da, Ligand)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- Epibatidine (208 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Alpha7-nicotinic acetylcholine receptor bound to epibatidine and NS-1738
Resolution: 2.3 Å
EM Method: Single-particle
Fitted PDBs: 8utb
Q-score: 0.63
Burke SM, Avstrikova M, Noviello CM, Mukhtasimova N, Changeux JP, Thakur GA, Sine SM, Cecchini M, Hibbs RE
Cell (2024) 187 pp. 1160-1176.e21 [ Pubmed: 38382524 DOI: doi:10.1016/j.cell.2024.01.032 ]
- Alpha7-nicotinic acetylcholine receptor bound to epibatidine and ns-1738 (Complex from Homo sapiens)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- N-(5-chloro-2-hydroxyphenyl)-n'-[2-chloro-5-(trifluoromethyl)phenyl]urea (365 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Water (18 Da, Ligand)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- Epibatidine (208 Da, Ligand)
- Neuronal acetylcholine receptor subunit alpha-7,soluble cytochrome b562 fusion (67 kDa, Protein from Homo sapiens)
Alpha7-nicotinic acetylcholine receptor bound to epibatidine and ivermectin
Resolution: 2.3 Å
EM Method: Single-particle
Fitted PDBs: 8uzj
Q-score: 0.651
Burke SM, Avstrikova M, Noviello CM, Mukhtasimova N, Changeux JP, Thakur GA, Sine SM, Cecchini M, Hibbs RE
Cell (2024) 187 pp. 1160-1176.e21 [ Pubmed: 38382524 DOI: doi:10.1016/j.cell.2024.01.032 ]
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- Alpha7-nicotinic acetylcholine receptor bound to epibatidine and ivermectin (Complex from Homo sapiens)
- (2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2h,7h-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-o-(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)-3-o-methyl-alpha-l-arabino-hexopyranoside (875 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Water (18 Da, Ligand)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- Neuronal acetylcholine receptor subunit alpha-7,soluble cytochrome b562 (67 kDa, Protein from Homo sapiens)
- Epibatidine (208 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Alpha7-nicotinic acetylcholine receptor bound to epibatidine and (-)-TQS
Resolution: 2.34 Å
EM Method: Single-particle
Fitted PDBs: 8v80
Q-score: 0.65
Burke SM, Avstrikova M, Noviello CM, Mukhtasimova N, Changeux JP, Thakur GA, Sine SM, Cecchini M, Hibbs RE
Cell (2024) 187 pp. 1160-1176.e21 [ Pubmed: 38382524 DOI: doi:10.1016/j.cell.2024.01.032 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- (3ar,4s,9bs)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-sulfonamide (376 Da, Ligand)
- Water (18 Da, Ligand)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- Neuronal acetylcholine receptor subunit alpha-7,soluble cytochrome b562 (67 kDa, Protein from Homo sapiens)
- Epibatidine (208 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- Alpha7-nicotinic acetylcholine receptor bound to epibatidine and (-)-tqs (Complex from Homo sapiens)
Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596
Resolution: 2.61 Å
EM Method: Single-particle
Fitted PDBs: 8v82
Q-score: 0.604
Burke SM, Avstrikova M, Noviello CM, Mukhtasimova N, Changeux JP, Thakur GA, Sine SM, Cecchini M, Hibbs RE
Cell (2024) 187 pp. 1160-1176.e21 [ Pubmed: 38382524 DOI: doi:10.1016/j.cell.2024.01.032 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Alpha7-nicotinic acetylcholine receptor bound to epibatidine and pnu-120596 (Complex from Homo sapiens)
- N-(5-chloro-2,4-dimethoxyphenyl)-n'-(5-methyl-3-isoxazolyl)-urea (311 Da, Ligand)
- Water (18 Da, Ligand)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- Neuronal acetylcholine receptor subunit alpha-7,soluble cytochrome b562 (67 kDa, Protein from Homo sapiens)
- Epibatidine (208 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
Alpha7-nicotinic acetylcholine receptor bound to GAT107
Resolution: 2.47 Å
EM Method: Single-particle
Fitted PDBs: 8v86
Q-score: 0.647
Burke SM, Avstrikova M, Noviello CM, Mukhtasimova N, Changeux JP, Thakur GA, Sine SM, Cecchini M, Hibbs RE
Cell (2024) 187 pp. 1160-1176.e21 [ Pubmed: 38382524 DOI: doi:10.1016/j.cell.2024.01.032 ]
- (3ar,4s,9bs)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-sulfonamide (405 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Water (18 Da, Ligand)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- Neuronal acetylcholine receptor subunit alpha-7,soluble cytochrome b562 (67 kDa, Protein from Homo sapiens)
- Alpha7-nicotinic acetylcholine receptor bound to gat107 (Complex from Homo sapiens)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
Alpha7-nicotinic acetylcholine receptor bound to epibatidine and GAT107
Resolution: 2.3 Å
EM Method: Single-particle
Fitted PDBs: 8v88
Q-score: 0.681
Burke SM, Avstrikova M, Noviello CM, Mukhtasimova N, Changeux JP, Thakur GA, Sine SM, Cecchini M, Hibbs RE
Cell (2024) 187 pp. 1160-1176.e21 [ Pubmed: 38382524 DOI: doi:10.1016/j.cell.2024.01.032 ]
- (3ar,4s,9bs)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-sulfonamide (405 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Water (18 Da, Ligand)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- Neuronal acetylcholine receptor subunit alpha-7,soluble cytochrome b562 (67 kDa, Protein from Homo sapiens)
- Epibatidine (208 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- Alpha7-nicotinic acetylcholine receptor bound to epibatidine and gat107 (Complex from Homo sapiens)
Alpha7-nicotinic acetylcholine receptor time resolved resting state
Resolution: 2.53 Å
EM Method: Single-particle
Fitted PDBs: 8v89
Q-score: 0.647
Burke SM, Avstrikova M, Noviello CM, Mukhtasimova N, Changeux JP, Thakur GA, Sine SM, Cecchini M, Hibbs RE
Cell (2024) 187 pp. 1160-1176.e21 [ Pubmed: 38382524 DOI: doi:10.1016/j.cell.2024.01.032 ]
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- Hexadecane (226 Da, Ligand)
- Water (18 Da, Ligand)
- Alpha7-nicotinic acetylcholine receptor time resolved resting state (Complex from Homo sapiens)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- Neuronal acetylcholine receptor subunit alpha-7,soluble cytochrome b562 (67 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Resolution: 2.19 Å
EM Method: Single-particle
Fitted PDBs: 8v8a
Q-score: 0.712
Burke SM, Avstrikova M, Noviello CM, Mukhtasimova N, Changeux JP, Thakur GA, Sine SM, Cecchini M, Hibbs RE
Cell (2024) 187 pp. 1160-1176.e21 [ Pubmed: 38382524 DOI: doi:10.1016/j.cell.2024.01.032 ]
- Calcium ion (40 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- N-(5-chloro-2,4-dimethoxyphenyl)-n'-(5-methyl-3-isoxazolyl)-urea (311 Da, Ligand)
- Water (18 Da, Ligand)
- (3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en (544 Da, Ligand)
- Neuronal acetylcholine receptor subunit alpha-7,soluble cytochrome b562 (67 kDa, Protein from Homo sapiens)
- Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and pnu-120596 desensitized intermediate state (Complex from Homo sapiens)
- Epibatidine (208 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
Resolution: 3.29 Å
EM Method: Single-particle
Fitted PDBs: 8v8c
Q-score: 0.479
Burke SM, Avstrikova M, Noviello CM, Mukhtasimova N, Changeux JP, Thakur GA, Sine SM, Cecchini M, Hibbs RE
Cell (2024) 187 pp. 1160-1176.e21 [ Pubmed: 38382524 DOI: doi:10.1016/j.cell.2024.01.032 ]
- Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and pnu-120596 asymmetric state 1 (Complex from Homo sapiens)
- Calcium ion (40 Da, Ligand)
- N-(5-chloro-2,4-dimethoxyphenyl)-n'-(5-methyl-3-isoxazolyl)-urea (311 Da, Ligand)
- Neuronal acetylcholine receptor subunit alpha-7,soluble cytochrome b562 (67 kDa, Protein from Homo sapiens)
- Epibatidine (208 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)