mycobacterial efflux pump, substrate-bound state
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8k1n
Q-score: 0.541
Wang Y, Gao S, Wu F, Gong Y, Mu N, Wei C, Wu C, Wang J, Yan N, Yang H, Zhang Y, Liu J, Wang Z, Yang X, Lam SM, Shui G, Li S, Da L, Guddat LW, Rao Z, Zhang L
PNAS (2024) 121 pp. e2403421121-e2403421121 [ Pubmed: 39226350 DOI: doi:10.1073/pnas.2403421121 ]
- Multidrug efflux system permease protein rv1217c (56 kDa, Protein from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
- Multidrug efflux system atp-binding protein rv1218c (33 kDa, Protein from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
- Rifampicin (822 Da, Ligand)
- Cardiolipin (1 kDa, Ligand)
- Ternary complex of an abc transporter rv1217c-1218c (120 kDa, Complex from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
mycobacterial efflux pump, AMPPNP bound state
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8k1o
Q-score: 0.597
Wang Y, Gao S, Wu F, Gong Y, Mu N, Wei C, Wu C, Wang J, Yan N, Yang H, Zhang Y, Liu J, Wang Z, Yang X, Lam SM, Shui G, Li S, Da L, Guddat LW, Rao Z, Zhang L
PNAS (2024) 121 pp. e2403421121-e2403421121 [ Pubmed: 39226350 DOI: doi:10.1073/pnas.2403421121 ]
- Multidrug efflux system permease protein rv1217c (56 kDa, Protein from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
- Multidrug efflux system atp-binding protein rv1218c (33 kDa, Protein from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
- Cardiolipin (1 kDa, Ligand)
- Phosphoaminophosphonic acid-adenylate ester (506 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Ternary complex of an abc transporter rv1217c-1218c (120 kDa, Complex from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv))
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 [ Pubmed: 38961288 DOI: doi:10.1038/s41586-024-07605-8 ]
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Atp synthase subunit alpha (59 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase epsilon chain (13 kDa, Protein from Mycobacterium tuberculosis)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Atp synthase subunit c (8 kDa, Protein from Mycobacterium tuberculosis)
- Bedaquiline (555 Da, Ligand)
- Atp synthase subunit beta (53 kDa, Protein from Mycobacterium tuberculosis)
- Mycobacterium tuberculosis atp synthase in complex with bedaquiline(bdq) (Complex from Mycobacterium tuberculosis)
- Multifunctional fusion protein (48 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase gamma chain (33 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit a (27 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit b (18 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 [ Pubmed: 38961288 DOI: doi:10.1038/s41586-024-07605-8 ]
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Atp synthase subunit alpha (59 kDa, Protein from Mycobacterium tuberculosis)
- Mycobacterium tuberculosis atp synthase (Complex from Mycobacterium tuberculosis)
- Atp synthase epsilon chain (13 kDa, Protein from Mycobacterium tuberculosis)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Atp synthase subunit c (8 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit beta (53 kDa, Protein from Mycobacterium tuberculosis)
- Multifunctional fusion protein (48 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase gamma chain (33 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit a (27 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit b (18 kDa, Protein from Mycobacterium tuberculosis)
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 [ Pubmed: 38961288 DOI: doi:10.1038/s41586-024-07605-8 ]
- 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 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 [ Pubmed: 38961288 DOI: doi:10.1038/s41586-024-07605-8 ]
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Atp synthase subunit alpha (59 kDa, Protein from Mycobacterium tuberculosis)
- Mycobacterium tuberculosis atp synthase (Complex from Mycobacterium tuberculosis)
- Atp synthase epsilon chain (13 kDa, Protein from Mycobacterium tuberculosis)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- (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 subunit beta (53 kDa, Protein from Mycobacterium tuberculosis)
- Multifunctional fusion protein (48 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase gamma chain (33 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit a (27 kDa, Protein from Mycobacterium tuberculosis)
- Atp synthase subunit b (18 kDa, Protein 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 [ Pubmed: 38961288 DOI: doi:10.1038/s41586-024-07605-8 ]
- Atp synthase subunit e, mitochondrial (7 kDa, Protein from Homo sapiens)
- Atp synthase subunit g, mitochondrial (11 kDa, Protein from Homo sapiens)
- Atp synthase subunit f, mitochondrial (10 kDa, Protein from Homo sapiens)
- Atp synthase subunit atp5mj, mitochondrial (6 kDa, Protein from Homo sapiens)
- Atp synthase f(0) complex subunit c1, mitochondrial (7 kDa, Protein from Homo sapiens)
- Human atp synthase (Complex 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 d, mitochondrial (18 kDa, Protein from Homo sapiens)
- Atp synthase subunit a (24 kDa, Protein from Homo sapiens)
- Atp synthase subunit delta, mitochondrial (15 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 b1, mitochondrial (24 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 [ Pubmed: 38961288 DOI: doi:10.1038/s41586-024-07605-8 ]
- Atp synthase subunit alpha, mitochondrial (55 kDa, Protein from Homo sapiens)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Atp synthase subunit a (24 kDa, Protein from Homo sapiens)
- Atp synthase protein 8 (8 kDa, Protein from Homo sapiens)
- Atp synthase subunit delta, mitochondrial (15 kDa, Protein from Homo sapiens)
- Atp synthase subunit o, mitochondrial (20 kDa, Protein from Homo sapiens)
- Atp synthase subunit g, mitochondrial (11 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- Atp synthase subunit f, mitochondrial (10 kDa, Protein from Homo sapiens)
- Human atp synthase (Complex from Homo sapiens)
- Atp synthase subunit d, mitochondrial (18 kDa, Protein from Homo sapiens)
- Atp synthase subunit beta, mitochondrial (51 kDa, Protein from Homo sapiens)
- Atp synthase subunit e, mitochondrial (7 kDa, Protein from Homo sapiens)
- Atpase inhibitor, mitochondrial (9 kDa, Protein from Homo sapiens)
- Atp synthase f(0) complex subunit c1, mitochondrial (7 kDa, Protein from Homo sapiens)
- Bedaquiline (555 Da, Ligand)
- Atp synthase subunit gamma, mitochondrial (30 kDa, Protein from Homo sapiens)
- Atp synthase subunit epsilon, mitochondrial (5 kDa, Protein from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Atp synthase subunit atp5mj, mitochondrial (6 kDa, Protein from Homo sapiens)
- Atp synthase f(0) complex subunit b1, mitochondrial (24 kDa, Protein from Homo sapiens)
- Atp synthase-coupling factor 6, mitochondrial (12 kDa, Protein from Homo sapiens)
SARS-CoV-2 RNA E-RTC complex with RMP-nsp9 and GMPPNP
Resolution: 2.72 Å
EM Method: Single-particle
Fitted PDBs: 8gwk
Q-score: 0.423
Yan L, Huang Y, Ge J, Liu Z, Lu P, Huang B, Gao S, Wang J, Tan L, Ye S, Yu F, Lan W, Xu S, Zhou F, Shi L, Guddat LW, Gao Y, Rao Z, Lou Z
Cell (2022) 185 pp. 4347-4360.e17 [ Pubmed: 36335936 DOI: doi:10.1016/j.cell.2022.09.037 ]
- Magnesium ion (24 Da, Ligand)
- Water (18 Da, Ligand)
- E-rtc_rmp-nsp9_gmppnp (Complex from Severe acute respiratory syndrome coronavirus 2)
- Non-structural protein 9 (12 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Rna-directed rna polymerase (106 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Primer (8 kDa, RNA from Severe acute respiratory syndrome coronavirus 2)
- Template (8 kDa, RNA from Severe acute respiratory syndrome coronavirus 2)
- Zinc ion (65 Da, Ligand)
- [(2~{r},3~{s},4~{r},5~{r})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate (371 Da, Ligand)
- Phosphoaminophosphonic acid-guanylate ester (522 Da, Ligand)
- Helicase (66 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Non-structural protein 7 (9 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Non-structural protein 8 (21 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
SARS-CoV-2 E-RTC bound with MMP-nsp9 and GMPPNP
Resolution: 2.64 Å
EM Method: Single-particle
Fitted PDBs: 8gwm
Q-score: 0.41
Yan L, Huang Y, Ge J, Liu Z, Lu P, Huang B, Gao S, Wang J, Tan L, Ye S, Yu F, Lan W, Xu S, Zhou F, Shi L, Guddat LW, Gao Y, Rao Z, Lou Z
Cell (2022) 185 pp. 4347-4360.e17 [ Pubmed: 36335936 DOI: doi:10.1016/j.cell.2022.09.037 ]
- Water (18 Da, Ligand)
- 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate) (420 Da, Ligand)
- Non-structural protein 9 (12 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Rna-directed rna polymerase (106 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- E-rtc_mmp-nsp9_gmppnp (Complex from Severe acute respiratory syndrome coronavirus 2)
- Zinc ion (65 Da, Ligand)
- Rna (25-mer) (8 kDa, RNA from Severe acute respiratory syndrome coronavirus 2)
- Rna (26-mer) (8 kDa, RNA from Severe acute respiratory syndrome coronavirus 2)
- Phosphoaminophosphonic acid-guanylate ester (522 Da, Ligand)
- Helicase (66 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Non-structural protein 7 (9 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Non-structural protein 8 (21 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)