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) 630 pp. 247-254 [ Pubmed: 38750358 DOI: doi:10.1038/s41586-024-07437-6 ]
- ~{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)
- Sodium ion (22 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- Water (18 Da, Ligand)
- Chloride ion (35 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) 630 pp. 247-254 [ Pubmed: 38750358 DOI: doi:10.1038/s41586-024-07437-6 ]
- Sodium ion (22 Da, Ligand)
- (1s)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine (253 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- Water (18 Da, Ligand)
- Chloride ion (35 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) 630 pp. 247-254 [ Pubmed: 38750358 DOI: doi:10.1038/s41586-024-07437-6 ]
- (3r)-n-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine (255 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- Water (18 Da, Ligand)
- Chloride ion (35 Da, Ligand)
Structure of NET-Amitriptyline in outward-open state
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8y93
Q-score: 0.441
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) 630 pp. 247-254 [ Pubmed: 38750358 DOI: doi:10.1038/s41586-024-07437-6 ]
- Sodium ion (22 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- Amitriptyline (277 Da, Ligand)
- Chloride ion (35 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) 630 pp. 247-254 [ Pubmed: 38750358 DOI: doi:10.1038/s41586-024-07437-6 ]
- [(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)
- Water (18 Da, Ligand)
- Nisoxetine (271 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- 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)
- Chloride ion (35 Da, Ligand)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)