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Structure of NET-Maprotiline in outward-open state
Resolution: 3.29 Å
EM Method: Single-particle
Fitted PDBs: 8y8z
Q-score: 0.403
Zhang H, Yin YL, Dai A, Zhang T, Zhang C, Wu C, Hu W, He X, Pan B, Jin S, Yuan Q, Wang MW, Yang D, Xu HE, Jiang Y
Nature (2024) [ DOI: doi:10.1038/s41586-024-07437-6 Pubmed: 38750358 ]
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- ~{n}-methyl-3-(1-tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9,11,13-hexaenyl)propan-1-amine (277 Da, Ligand)
- Water (18 Da, Ligand)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- Chloride ion (35 Da, Ligand)
- Sodium ion (22 Da, Ligand)
Structure of NET-Nefopam in outward-open state
Resolution: 3.15 Å
EM Method: Single-particle
Fitted PDBs: 8y90
Q-score: 0.378
Zhang H, Yin YL, Dai A, Zhang T, Zhang C, Wu C, Hu W, He X, Pan B, Jin S, Yuan Q, Wang MW, Yang D, Xu HE, Jiang Y
Nature (2024) [ DOI: doi:10.1038/s41586-024-07437-6 Pubmed: 38750358 ]
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- (1s)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine (253 Da, Ligand)
- Water (18 Da, Ligand)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- Chloride ion (35 Da, Ligand)
- Sodium ion (22 Da, Ligand)
Structure of NET-nomifensine in outward-open state
Resolution: 3.13 Å
EM Method: Single-particle
Fitted PDBs: 8y91
Q-score: 0.447
Zhang H, Yin YL, Dai A, Zhang T, Zhang C, Wu C, Hu W, He X, Pan B, Jin S, Yuan Q, Wang MW, Yang D, Xu HE, Jiang Y
Nature (2024) [ DOI: doi:10.1038/s41586-024-07437-6 Pubmed: 38750358 ]
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- (4s)-2-methyl-4-phenyl-3,4-dihydro-1h-isoquinolin-8-amine (238 Da, Ligand)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- Chloride ion (35 Da, Ligand)
- Sodium ion (22 Da, Ligand)
structure of NET-Atomoxetine in outward-open state
Resolution: 3.29 Å
EM Method: Single-particle
Fitted PDBs: 8y92
Q-score: 0.42
Zhang H, Yin YL, Dai A, Zhang T, Zhang C, Wu C, Hu W, He X, Pan B, Jin S, Yuan Q, Wang MW, Yang D, Xu HE, Jiang Y
Nature (2024) [ DOI: doi:10.1038/s41586-024-07437-6 Pubmed: 38750358 ]
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- (3r)-n-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine (255 Da, Ligand)
- Water (18 Da, Ligand)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- Chloride ion (35 Da, Ligand)
- Sodium ion (22 Da, Ligand)
Structure of NET-Amitriptyline in outward-open state
Zhang H, Yin YL, Dai A, Zhang T, Zhang C, Wu C, Hu W, He X, Pan B, Jin S, Yuan Q, Wang MW, Yang D, Xu HE, Jiang Y
Nature (2024) [ DOI: doi:10.1038/s41586-024-07437-6 Pubmed: 38750358 ]
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Amitriptyline (277 Da, Ligand)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- Chloride ion (35 Da, Ligand)
- Sodium ion (22 Da, Ligand)
Structure of Apo human norepinephrine transporter NET
Resolution: 3.29 Å
EM Method: Single-particle
Fitted PDBs: 8y94
Q-score: 0.364
Zhang H, Yin YL, Dai A, Zhang T, Zhang C, Wu C, Hu W, He X, Pan B, Jin S, Yuan Q, Wang MW, Yang D, Xu HE, Jiang Y
Nature (2024) [ DOI: doi:10.1038/s41586-024-07437-6 Pubmed: 38750358 ]
- Structure of apo human net (100 kDa, Complex from Homo sapiens)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
Structure of NET-NE in Occluded state
Zhang H, Yin YL, Dai A, Zhang T, Zhang C, Wu C, Hu W, He X, Pan B, Jin S, Yuan Q, Wang MW, Yang D, Xu HE, Jiang Y
Nature (2024) [ DOI: doi:10.1038/s41586-024-07437-6 Pubmed: 38750358 ]
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Sodium-dependent noradrenaline transporter bound noradrenaline (Complex from Homo sapiens)
- Noradrenaline (170 Da, Ligand)
- Chloride ion (35 Da, Ligand)
- Sodium ion (22 Da, Ligand)
Structure of NET-Nisoxetine in outward-open state
Resolution: 2.89 Å
EM Method: Single-particle
Fitted PDBs: 8yr2
Q-score: 0.47
Zhang H, Yin YL, Dai A, Zhang T, Zhang C, Wu C, Hu W, He X, Pan B, Jin S, Yuan Q, Wang MW, Yang D, Xu HE, Jiang Y
Nature (2024) [ DOI: doi:10.1038/s41586-024-07437-6 Pubmed: 38750358 ]
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- [(2r)-2-octanoyloxy-3-[oxidanyl-[(2r,3r,5s,6r)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate (586 Da, Ligand)
- [(2r)-2-octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate (746 Da, Ligand)
- Nisoxetine (271 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Water (18 Da, Ligand)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- Chloride ion (35 Da, Ligand)
- Sodium ion (22 Da, Ligand)
Cryo-EM structure of the METH-TAAR1 complex
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8w87
Q-score: 0.567
Liu H, Zheng Y, Wang Y, Wang Y, He X, Xu P, Huang S, Yuan Q, Zhang X, Wang L, Jiang K, Chen H, Li Z, Liu W, Wang S, Xu HE, Xu F
Nature (2023) 624 pp. 663-671 [ DOI: doi:10.1038/s41586-023-06775-1 Pubmed: 37935377 ]
- Cryo-em structure of the meth-taar1 complex (Complex from Homo sapiens)
- Trace amine-associated receptor 1 (39 kDa, Protein from Homo sapiens)
- (2s)-n-methyl-1-phenylpropan-2-amine (149 Da, Ligand)
- 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)
- Guanine nucleotide-binding protein g(s) subunit alpha isoforms short (41 kDa, Protein from Homo sapiens)
- Nanobody35 (15 kDa, Protein from Lama glama)
Cryo-EM structure of the SEP363856-bound TAAR1-Gs complex
Resolution: 2.6 Å
EM Method: Single-particle
Fitted PDBs: 8w88
Q-score: 0.59
Liu H, Zheng Y, Wang Y, Wang Y, He X, Xu P, Huang S, Yuan Q, Zhang X, Wang L, Jiang K, Chen H, Li Z, Liu W, Wang S, Xu HE, Xu F
Nature (2023) 624 pp. 663-671 [ DOI: doi:10.1038/s41586-023-06775-1 Pubmed: 37935377 ]
- 1-[(7~{s})-5,7-dihydro-4~{h}-thieno[2,3-c]pyran-7-yl]-~{n}-methyl-methanamine (183 Da, Ligand)
- Trace amine-associated receptor 1 (39 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(s) subunit alpha isoforms short (45 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)
- Cholesterol (386 Da, Ligand)
- Nanobody35 (15 kDa, Protein from Lama glama)
- Sep363856-bound taar1-gs complex (Complex from Homo sapiens)