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 ]
- Water (18 Da, Ligand)
- ~{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)
- Chloride ion (35 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
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 ]
- Water (18 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- Chloride ion (35 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)
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) 630 pp. 247-254 [ Pubmed: 38750358 DOI: doi:10.1038/s41586-024-07437-6 ]
- Sodium ion (22 Da, Ligand)
- Chloride ion (35 Da, Ligand)
- 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)
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)
- Water (18 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- Chloride ion (35 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
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)
- Chloride ion (35 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- Amitriptyline (277 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) 630 pp. 247-254 [ Pubmed: 38750358 DOI: doi:10.1038/s41586-024-07437-6 ]
- 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
Resolution: 3.24 Å
EM Method: Single-particle
Fitted PDBs: 8y95
Q-score: 0.412
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-dependent noradrenaline transporter bound noradrenaline (Complex from Homo sapiens)
- Noradrenaline (170 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- Chloride ion (35 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
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 ]
- Nisoxetine (271 Da, Ligand)
- Water (18 Da, Ligand)
- [(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)
- Sodium ion (22 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Chloride ion (35 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Sodium-dependent noradrenaline transporter (Complex from Homo sapiens)
- [(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)
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 7xmr
Q-score: 0.41
Zhao W, Han S, Qiu N, Feng W, Lu M, Zhang W, Wang M, Zhou Q, Chen S, Xu W, Du J, Chu X, Yi C, Dai A, Hu L, Shen MY, Sun Y, Zhang Q, Ma Y, Zhong W, Yang D, Wang MW, Wu B, Zhao Q
Cell Res (2022) 32 pp. 761-772 [ Pubmed: 35739238 DOI: doi:10.1038/s41422-022-00679-x ]
- Somatostatin-14 (1 kDa, Protein from Homo sapiens)
- Complex structure of the somatostatin receptor 2 (sstr2) in complex with gi1 and its endogeneous peptide ligand sst-14 (Complex 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 (38 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i) subunit alpha-1 (40 kDa, Protein from Homo sapiens)
- Somatostatin receptor type 2 (45 kDa, Protein from Homo sapiens)
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 7xms
Q-score: 0.408
Zhao W, Han S, Qiu N, Feng W, Lu M, Zhang W, Wang M, Zhou Q, Chen S, Xu W, Du J, Chu X, Yi C, Dai A, Hu L, Shen MY, Sun Y, Zhang Q, Ma Y, Zhong W, Yang D, Wang MW, Wu B, Zhao Q
Cell Res (2022) 32 pp. 761-772 [ Pubmed: 35739238 DOI: doi:10.1038/s41422-022-00679-x ]
- Somatostatin-14 (1 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) subunit alpha-1 (40 kDa, Protein from Homo sapiens)
- Signle chain viable fragment of antibody (31 kDa, Protein from Mus musculus)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (38 kDa, Protein from Homo sapiens)
- Somatostatin receptor type 4 (40 kDa, Protein from Homo sapiens)
- Complex structure of somatostatin receptor 4 (sstr4) in complex with gi and its endogeneous ligand sst-14 (Complex from Homo sapiens)