The structure of Candida albicans Cdr1 in fluconazole-bound state
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 9iul
Q-score: 0.567
Peng Y, Lu Y, Sun H, Ma J, Li X, Han X, Fang Z, Tan J, Qiu Y, Qu T, Yin M, Yan Z
Nat Commun (2024) 15 pp. 7722-7722 [ Pubmed: 39242571 DOI: doi:10.1038/s41467-024-52107-w ]
- The cryo-em structure of candida albicans cdr1 in fluconazole-bound state (Complex from Candida albicans SC5314)
- 2-(2,4-difluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol (306 Da, Ligand)
- Pleiotropic abc efflux transporter of multiple drugs cdr1 (170 kDa, Protein from Candida albicans SC5314)
- Pip2(20:4/18:0) (1 kDa, Ligand)
The structure of Candida albicans Cdr1 in milbemycin oxime-inhibited state
Resolution: 3.08 Å
EM Method: Single-particle
Fitted PDBs: 9ium
Q-score: 0.547
Peng Y, Lu Y, Sun H, Ma J, Li X, Han X, Fang Z, Tan J, Qiu Y, Qu T, Yin M, Yan Z
Nat Commun (2024) 15 pp. 7722-7722 [ Pubmed: 39242571 DOI: doi:10.1038/s41467-024-52107-w ]
- The cryo-em structure of candida albicans cdr1 in milbemycin oxime-inhibited state (Complex from Candida albicans SC5314)
- Pleiotropic abc efflux transporter of multiple drugs cdr1 (170 kDa, Protein from Candida albicans SC5314)
- Pip2(20:4/18:0) (1 kDa, Ligand)
- Milbemycin oxime (555 Da, Ligand)
Resolution: 2.75 Å
EM Method: Single-particle
Fitted PDBs: 8wgr
Q-score: 0.576
Tan J, Xiao Y, Kong F, Zhang X, Xu H, Zhu A, Liu Y, Lei J, Tian B, Yuan Y, Yan C
Nature (2024) 632 pp. 921-929 [ Pubmed: 39048818 DOI: doi:10.1038/s41586-024-07719-z ]
- Net (110 kDa, Complex from Homo sapiens)
- 3-(10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-n-methylpropan-1-amine (266 Da, Ligand)
- Potassium ion (39 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Chloride ion (35 Da, Ligand)
Resolution: 3.47 Å
EM Method: Single-particle
Fitted PDBs: 8wgx
Q-score: 0.462
Tan J, Xiao Y, Kong F, Zhang X, Xu H, Zhu A, Liu Y, Lei J, Tian B, Yuan Y, Yan C
Nature (2024) 632 pp. 921-929 [ Pubmed: 39048818 DOI: doi:10.1038/s41586-024-07719-z ]
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Net (110 kDa, Complex from Homo sapiens)
- L-norepinephrine (169 Da, Ligand)
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 8z1l
Q-score: 0.451
Tan J, Xiao Y, Kong F, Zhang X, Xu H, Zhu A, Liu Y, Lei J, Tian B, Yuan Y, Yan C
Nature (2024) 632 pp. 921-929 [ Pubmed: 39048818 DOI: doi:10.1038/s41586-024-07719-z ]
- (3r)-n-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine (255 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Net (110 kDa, Complex from Homo sapiens)
- Chloride ion (35 Da, Ligand)
Resolution: 2.85 Å
EM Method: Single-particle
Fitted PDBs: 8i3v
Q-score: 0.57
Tan J, Xiao Y, Kong F, Zhang X, Xu H, Zhu A, Liu Y, Lei J, Tian B, Yuan Y, Yan C
Nature (2024) 632 pp. 921-929 [ Pubmed: 39048818 DOI: doi:10.1038/s41586-024-07719-z ]
- (1s)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile (324 Da, Ligand)
- Net (Complex from Homo sapiens)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Chloride ion (35 Da, Ligand)
Resolution: 2.5 Å
EM Method: Single-particle
Fitted PDBs: 8hfe
Q-score: 0.629
Tan J, Xiao Y, Kong F, Zhang X, Xu H, Zhu A, Liu Y, Lei J, Tian B, Yuan Y, Yan C
Nature (2024) 632 pp. 921-929 [ Pubmed: 39048818 DOI: doi:10.1038/s41586-024-07719-z ]
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Net (110 kDa, Complex from Homo sapiens)
- Water (18 Da, Ligand)
- Chloride ion (35 Da, Ligand)
Resolution: 2.86 Å
EM Method: Single-particle
Fitted PDBs: 8hff
Q-score: 0.537
Tan J, Xiao Y, Kong F, Zhang X, Xu H, Zhu A, Liu Y, Lei J, Tian B, Yuan Y, Yan C
Nature (2024) 632 pp. 921-929 [ Pubmed: 39048818 DOI: doi:10.1038/s41586-024-07719-z ]
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Net (110 kDa, Complex from Homo sapiens)
- L-norepinephrine (169 Da, Ligand)
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8hfg
Q-score: 0.442
Tan J, Xiao Y, Kong F, Zhang X, Xu H, Zhu A, Liu Y, Lei J, Tian B, Yuan Y, Yan C
Nature (2024) 632 pp. 921-929 [ Pubmed: 39048818 DOI: doi:10.1038/s41586-024-07719-z ]
- Net (110 kDa, Complex from Homo sapiens)
- L-dopamine (153 Da, Ligand)
- Sodium-dependent noradrenaline transporter (69 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Chloride ion (35 Da, Ligand)