Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in complex with bedaquiline(BDQ)
Resolution: 2.58 Å
EM Method: Single-particle
Fitted PDBs: 8j0s
Q-score: 0.592
Zhang Y, Lai Y, Zhou S, Ran T, Zhang Y, Zhao Z, Feng Z, Yu L, Xu J, Shi K, Wang J, Pang Y, Li L, Chen H, Guddat LW, Gao Y, Liu F, Rao Z, Gong H
Nature (2024) 631 pp. 409-414 [ DOI: doi:10.1038/s41586-024-07605-8 Pubmed: 38961288 ]
- Atp synthase epsilon chain (13 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit b (18 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit c (8 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase gamma chain (33 kDa, Protein from Mycobacterium tuberculosis)
- Bedaquiline (555 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Mycobacterium tuberculosis atp synthase in complex with bedaquiline(bdq) (Complex from Mycobacterium tuberculosis)
- Magnesium ion (24 Da, Ligand)
- Atp synthase subunit beta (53 kDa, Protein from Mycobacterium tuberculosis)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Atp synthase subunit a (27 kDa, Protein from Mycobacterium tuberculosis)
- Multifunctional fusion protein (48 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit alpha (59 kDa, Protein from Mycobacterium tuberculosis)
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in the apo-form
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8j0t
Q-score: 0.543
Zhang Y, Lai Y, Zhou S, Ran T, Zhang Y, Zhao Z, Feng Z, Yu L, Xu J, Shi K, Wang J, Pang Y, Li L, Chen H, Guddat LW, Gao Y, Liu F, Rao Z, Gong H
Nature (2024) 631 pp. 409-414 [ DOI: doi:10.1038/s41586-024-07605-8 Pubmed: 38961288 ]
- Atp synthase epsilon chain (13 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit b (18 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit c (8 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase gamma chain (33 kDa, Protein from Mycobacterium tuberculosis)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Atp synthase subunit beta (53 kDa, Protein from Mycobacterium tuberculosis)
- Mycobacterium tuberculosis atp synthase (Complex from Mycobacterium tuberculosis)
- Atp synthase subunit a (27 kDa, Protein from Mycobacterium tuberculosis)
- Multifunctional fusion protein (48 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit alpha (59 kDa, Protein from Mycobacterium tuberculosis)
- Adenosine-5'-diphosphate (427 Da, Ligand)
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in complex with bedaquiline(BDQ)
Resolution: 2.85 Å
EM Method: Single-particle
Fitted PDBs: 8j57
Q-score: 0.574
Zhang Y, Lai Y, Zhou S, Ran T, Zhang Y, Zhao Z, Feng Z, Yu L, Xu J, Shi K, Wang J, Pang Y, Li L, Chen H, Guddat LW, Gao Y, Liu F, Rao Z, Gong H
Nature (2024) 631 pp. 409-414 [ DOI: doi:10.1038/s41586-024-07605-8 Pubmed: 38961288 ]
- Atp synthase subunit a (27 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit c (8 kDa, Protein from Mycobacterium tuberculosis)
- Bedaquiline (555 Da, Ligand)
- Mycobacterium tuberculosis atp synthase fo with bedaquiline(bdq) (Complex from Mycobacterium tuberculosis)
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in the apo-form
Resolution: 3.15 Å
EM Method: Single-particle
Fitted PDBs: 8j58
Q-score: 0.489
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in complex with TBAJ-587
Resolution: 2.8 Å
EM Method: Single-particle
Fitted PDBs: 8jr0
Q-score: 0.545
Zhang Y, Lai Y, Zhou S, Ran T, Zhang Y, Zhao Z, Feng Z, Yu L, Xu J, Shi K, Wang J, Pang Y, Li L, Chen H, Guddat LW, Gao Y, Liu F, Rao Z, Gong H
Nature (2024) 631 pp. 409-414 [ DOI: doi:10.1038/s41586-024-07605-8 Pubmed: 38961288 ]
- Atp synthase epsilon chain (13 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit b (18 kDa, Protein from Mycobacterium tuberculosis)
- (1~{s},2~{s})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol (614 Da, Ligand)
- Atp synthase subunit c (8 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase gamma chain (33 kDa, Protein from Mycobacterium tuberculosis)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Atp synthase subunit beta (53 kDa, Protein from Mycobacterium tuberculosis)
- Mycobacterium tuberculosis atp synthase (Complex from Mycobacterium tuberculosis)
- Atp synthase subunit a (27 kDa, Protein from Mycobacterium tuberculosis)
- Multifunctional fusion protein (48 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit alpha (59 kDa, Protein from Mycobacterium tuberculosis)
- Adenosine-5'-diphosphate (427 Da, Ligand)
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in complex with TBAJ-587
Resolution: 3.17 Å
EM Method: Single-particle
Fitted PDBs: 8jr1
Q-score: 0.463
Zhang Y, Lai Y, Zhou S, Ran T, Zhang Y, Zhao Z, Feng Z, Yu L, Xu J, Shi K, Wang J, Pang Y, Li L, Chen H, Guddat LW, Gao Y, Liu F, Rao Z, Gong H
Nature (2024) 631 pp. 409-414 [ DOI: doi:10.1038/s41586-024-07605-8 Pubmed: 38961288 ]
- Atp synthase subunit a (27 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit c (8 kDa, Protein from Mycobacterium tuberculosis)
- (1~{s},2~{s})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol (614 Da, Ligand)
- Mycobacterium tuberculosis atp synthase (Complex from Mycobacterium tuberculosis)
Structure of the human ATP synthase bound to bedaquiline (membrane domain)
Resolution: 3.13 Å
EM Method: Single-particle
Fitted PDBs: 8khf
Q-score: 0.508
Zhang Y, Lai Y, Zhou S, Ran T, Zhang Y, Zhao Z, Feng Z, Yu L, Xu J, Shi K, Wang J, Pang Y, Li L, Chen H, Guddat LW, Gao Y, Liu F, Rao Z, Gong H
Nature (2024) 631 pp. 409-414 [ DOI: doi:10.1038/s41586-024-07605-8 Pubmed: 38961288 ]
- Atp synthase subunit f, mitochondrial (10 kDa, Protein from Homo sapiens)
- Atp synthase subunit a (24 kDa, Protein from Homo sapiens)
- Atp synthase protein 8 (8 kDa, Protein from Homo sapiens)
- Bedaquiline (555 Da, Ligand)
- Atp synthase f(0) complex subunit c1, mitochondrial (7 kDa, Protein from Homo sapiens)
- Atp synthase f(0) complex subunit b1, mitochondrial (24 kDa, Protein from Homo sapiens)
- Human atp synthase (Complex from Homo sapiens)
- Atp synthase subunit atp5mj, mitochondrial (6 kDa, Protein from Homo sapiens)
- Atp synthase subunit g, mitochondrial (11 kDa, Protein from Homo sapiens)
- Atp synthase subunit e, mitochondrial (7 kDa, Protein from Homo sapiens)
- Atp synthase subunit d, mitochondrial (18 kDa, Protein from Homo sapiens)
- Atp synthase subunit epsilon, mitochondrial (5 kDa, Protein from Homo sapiens)
- Atp synthase subunit gamma, mitochondrial (30 kDa, Protein from Homo sapiens)
- Atp synthase subunit delta, mitochondrial (15 kDa, Protein from Homo sapiens)
Structure of the human ATP synthase bound to bedaquiline (composite)
Resolution: 2.89 Å
EM Method: Single-particle
Fitted PDBs: 8ki3
Q-score: 0.547
Zhang Y, Lai Y, Zhou S, Ran T, Zhang Y, Zhao Z, Feng Z, Yu L, Xu J, Shi K, Wang J, Pang Y, Li L, Chen H, Guddat LW, Gao Y, Liu F, Rao Z, Gong H
Nature (2024) 631 pp. 409-414 [ DOI: doi:10.1038/s41586-024-07605-8 Pubmed: 38961288 ]
- Atpase inhibitor, mitochondrial (9 kDa, Protein from Homo sapiens)
- Atp synthase subunit beta, mitochondrial (51 kDa, Protein from Homo sapiens)
- Human atp synthase (Complex from Homo sapiens)
- Atp synthase subunit atp5mj, mitochondrial (6 kDa, Protein from Homo sapiens)
- Atp synthase subunit e, mitochondrial (7 kDa, Protein from Homo sapiens)
- Atp synthase subunit d, mitochondrial (18 kDa, Protein from Homo sapiens)
- Atp synthase subunit g, mitochondrial (11 kDa, Protein from Homo sapiens)
- Atp synthase subunit gamma, mitochondrial (30 kDa, Protein from Homo sapiens)
- Atp synthase-coupling factor 6, mitochondrial (12 kDa, Protein from Homo sapiens)
- Atp synthase subunit a (24 kDa, Protein from Homo sapiens)
- Atp synthase f(0) complex subunit c1, mitochondrial (7 kDa, Protein from Homo sapiens)
- Atp synthase subunit alpha, mitochondrial (55 kDa, Protein from Homo sapiens)
- Atp synthase subunit o, mitochondrial (20 kDa, Protein from Homo sapiens)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Atp synthase subunit epsilon, mitochondrial (5 kDa, Protein from Homo sapiens)
- Atp synthase subunit f, mitochondrial (10 kDa, Protein from Homo sapiens)
- Atp synthase protein 8 (8 kDa, Protein from Homo sapiens)
- Bedaquiline (555 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Atp synthase f(0) complex subunit b1, mitochondrial (24 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Atp synthase subunit delta, mitochondrial (15 kDa, Protein from Homo sapiens)
Human ATP synthase state 1 subregion 3
Resolution: 2.69 Å
EM Method: Single-particle
Fitted PDBs: 8h9f
Q-score: 0.573
Lai Y, Zhang Y, Zhou S, Xu J, Du Z, Feng Z, Yu L, Zhao Z, Wang W, Tang Y, Yang X, Guddat LW, Liu F, Gao Y, Rao Z, Gong H
Mol Cell (2023) 83 pp. 2137-2147.e4 [ Pubmed: 37244256 DOI: doi:10.1016/j.molcel.2023.04.029 ]
- Atp synthase subunit f, mitochondrial (10 kDa, Protein from Homo sapiens)
- Atp synthase subunit a (24 kDa, Protein from Homo sapiens)
- Atp synthase protein 8 (8 kDa, Protein from Homo sapiens)
- Cardiolipin (1 kDa, Ligand)
- Atp synthase f(0) complex subunit c1, mitochondrial (7 kDa, Protein from Homo sapiens)
- Human atp synthase (600 kDa, Complex from Homo sapiens)
- Atp synthase f(0) complex subunit b1, mitochondrial (24 kDa, Protein from Homo sapiens)
- Atp synthase subunit atp5mj, mitochondrial (6 kDa, Protein from Homo sapiens)
- Atp synthase subunit g, mitochondrial (11 kDa, Protein from Homo sapiens)
- Atp synthase subunit e, mitochondrial (7 kDa, Protein from Homo sapiens)
- Atp synthase subunit d, mitochondrial (18 kDa, Protein from Homo sapiens)
- Atp synthase subunit epsilon, mitochondrial (5 kDa, Protein from Homo sapiens)
- Atp synthase subunit gamma, mitochondrial (30 kDa, Protein from Homo sapiens)
- 1,2-diacyl-glycerol-3-sn-phosphate (704 Da, Ligand)
- Atp synthase subunit delta, mitochondrial (15 kDa, Protein from Homo sapiens)
Human ATP synthase F1 domain, state 1
Resolution: 2.53 Å
EM Method: Single-particle
Fitted PDBs: 8h9e
Q-score: 0.622
Lai Y, Zhang Y, Zhou S, Xu J, Du Z, Feng Z, Yu L, Zhao Z, Wang W, Tang Y, Yang X, Guddat LW, Liu F, Gao Y, Rao Z, Gong H
Mol Cell (2023) 83 pp. 2137- [ Pubmed: 37244256 DOI: doi:10.1016/j.molcel.2023.04.029 ]
- Atpase inhibitor, mitochondrial (9 kDa, Protein from Homo sapiens)
- Atp synthase subunit beta, mitochondrial (51 kDa, Protein from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Human atp synthase (600 kDa, Complex from Homo sapiens)
- Atp synthase subunit alpha, mitochondrial (55 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Atp synthase subunit gamma, mitochondrial (30 kDa, Protein from Homo sapiens)
- Atp synthase subunit o, mitochondrial (20 kDa, Protein from Homo sapiens)