ABCG2 in complex with AZ99 and 5D3 Fab
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8pxo
Q-score: 0.536
Yu Q, Dehghani-Ghahnaviyeh S, Rasouli A, Sadurni A, Kowal J, Bang-Soerensen R, Wen PC, Tinzl-Zechner M, Irobalieva RN, Ni D, Stahlberg H, Altmann KH, Tajkhorshid E, Locher KP
ACS Chem Biol (2024) 19 pp. 2304-2313 [ Pubmed: 39445888 DOI: doi:10.1021/acschembio.4c00353 ]
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- (2s,5s,8s)-14-cyclopentyloxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione (485 Da, Ligand)
- 5d3(fab) heavy chain variable domain|mus musculus (23 kDa, Protein from Mus musculus)
- Cholesterol (386 Da, Ligand)
- Abcg2 in complex with az99 and 5d3 fab (244 kDa, Complex from Homo sapiens)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
ABCG2 in complex with ko143 and 5D3 Fab
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8py4
Q-score: 0.546
Yu Q, Dehghani-Ghahnaviyeh S, Rasouli A, Sadurni A, Kowal J, Bang-Soerensen R, Wen PC, Tinzl-Zechner M, Irobalieva RN, Ni D, Stahlberg H, Altmann KH, Tajkhorshid E, Locher KP
ACS Chem Biol (2024) 19 pp. 2304-2313 [ Pubmed: 39445888 DOI: doi:10.1021/acschembio.4c00353 ]
- Water (18 Da, Ligand)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- Cholesterol (386 Da, Ligand)
- Abcg2 in complex with ko143 and 5d3 fab (244 kDa, Complex from Homo sapiens)
- Tert-butyl 3-[(2s,5s,8s)-14-methoxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate (469 Da, Ligand)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
ABCG2 in complex with MZ29 and 5D3 Fab
Resolution: 2.56 Å
EM Method: Single-particle
Fitted PDBs: 8q7b
Q-score: 0.603
Yu Q, Dehghani-Ghahnaviyeh S, Rasouli A, Sadurni A, Kowal J, Bang-Soerensen R, Wen PC, Tinzl-Zechner M, Irobalieva RN, Ni D, Stahlberg H, Altmann KH, Tajkhorshid E, Locher KP
ACS Chem Biol (2024) 19 pp. 2304-2313 [ Pubmed: 39445888 DOI: doi:10.1021/acschembio.4c00353 ]
- Water (18 Da, Ligand)
- ~{tert}-butyl 3-[(2~{s},5~{s},8~{s})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate (523 Da, Ligand)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Abcg2 in complex with mz29 and 5d3 fab (244 kDa, Complex from Homo sapiens)
ABCG2 in complex with MZ82 and 5D3 Fab
Resolution: 2.39 Å
EM Method: Single-particle
Fitted PDBs: 8qcm
Q-score: 0.604
Yu Q, Dehghani-Ghahnaviyeh S, Rasouli A, Sadurni A, Kowal J, Bang-Soerensen R, Wen PC, Tinzl-Zechner M, Irobalieva RN, Ni D, Stahlberg H, Altmann KH, Tajkhorshid E, Locher KP
ACS Chem Biol (2024) 19 pp. 2304-2313 [ Pubmed: 39445888 DOI: doi:10.1021/acschembio.4c00353 ]
- Water (18 Da, Ligand)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- Abcg2 in complex with mz82 and 5d3 fab (244 kDa, Complex from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- (2~{s},5~{s},8~{s})-14-methoxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione (431 Da, Ligand)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
Vanadate-trapped BSEP in nanodiscs
Resolution: 2.81 Å
EM Method: Single-particle
Fitted PDBs: 8pmj
Q-score: 0.59
Liu H, Irobalieva RN, Kowal J, Ni D, Nosol K, Bang-Sorensen R, Lancien L, Stahlberg H, Stieger B, Locher KP
Nat Commun (2023) 14 pp. 7296-7296 [ DOI: doi:10.1038/s41467-023-43109-1 Pubmed: 37949847 ]
- Vanadate ion (114 Da, Ligand)
- Water (18 Da, Ligand)
- Bile salt export pump (146 kDa, Protein from Homo sapiens)
- Vanadate-trapped bsep in nanodiscs (146 kDa, Complex from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Adenosine-5'-diphosphate (427 Da, Ligand)
Human bile salt export pump (BSEP) in complex with inhibitor GBM in nanodiscs
Resolution: 3.22 Å
EM Method: Single-particle
Fitted PDBs: 8pm6
Q-score: 0.428
Liu H, Irobalieva RN, Kowal J, Ni D, Nosol K, Bang-Sorensen R, Lancien L, Stahlberg H, Stieger B, Locher KP
Nat Commun (2023) 14 pp. 7296-7296 [ DOI: doi:10.1038/s41467-023-43109-1 Pubmed: 37949847 ]
- Cholesterol (386 Da, Ligand)
- Bile salt export pump (146 kDa, Protein from Homo sapiens)
- 5-chloro-n-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide (494 Da, Ligand)
- The complex of bsep with inhibitor gbm (146 kDa, Complex from Homo sapiens)
Resolution: 2.97 Å
EM Method: Single-particle
Fitted PDBs: 8pg0
Q-score: 0.528
Ciuta AD, Nosol K, Kowal J, Mukherjee S, Ramirez AS, Stieger B, Kossiakoff AA, Locher KP
Nat Commun (2023) 14 pp. 5774-5774 [ Pubmed: 37723174 DOI: doi:10.1038/s41467-023-41552-8 ]
- Human oatp1b3 (180 kDa, Complex from Homo sapiens)
- Bicarbonate ion (61 Da, Ligand)
- Fab19 (light chain, variable region) (23 kDa, Protein from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Solute carrier organic anion transporter family member 1b3 (77 kDa, Protein from Homo sapiens)
- Fab19 (heavy chain, variable region) (25 kDa, Protein from Homo sapiens)
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 8phw
Q-score: 0.38
Ciuta AD, Nosol K, Kowal J, Mukherjee S, Ramirez AS, Stieger B, Kossiakoff AA, Locher KP
Nat Commun (2023) 14 pp. 5774-5774 [ Pubmed: 37723174 DOI: doi:10.1038/s41467-023-41552-8 ]
- Human oatp1b1 (180 kDa, Complex)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Fab18 (light chain, variable region) (23 kDa, Protein from Homo sapiens)
- Estrone 3-sulfate (350 Da, Ligand)
- Solute carrier organic anion transporter family member 1b1 (Complex from Homo sapiens)
- Solute carrier organic anion transporter family member 1b1 (76 kDa, Protein from Homo sapiens)
- Fab18 (variable region) (Complex from Homo sapiens)
- Fab18 (heavy chain, variable region) (24 kDa, Protein from Homo sapiens)
ABCG2 turnover-1 state with tariquidar bound
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8bht
Q-score: 0.494
Rasouli A, Yu Q, Dehghani-Ghahnaviyeh S, Wen PC, Kowal J, Locher KP, Tajkhorshid E
PNAS (2023) 120 pp. e2213437120-e2213437120 [ Pubmed: 36580587 DOI: doi:10.1073/pnas.2213437120 ]
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- Abcg2 in complex with tariquidar under turnover condition (144 kDa, Complex from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Tariquidar (646 Da, Ligand)
ABCG2 turnover-2 state with tariquidar bound
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 8bi0
Q-score: 0.518
Rasouli A, Yu Q, Dehghani-Ghahnaviyeh S, Wen PC, Kowal J, Locher KP, Tajkhorshid E
PNAS (2023) 120 pp. e2213437120-e2213437120 [ Pubmed: 36580587 DOI: doi:10.1073/pnas.2213437120 ]
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- Abcg2 in complex with tariquidar under turnover condition (144 kDa, Complex from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Diundecyl phosphatidyl choline (622 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Tariquidar (646 Da, Ligand)