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 [ DOI: doi:10.1021/acschembio.4c00353 Pubmed: 39445888 ]
- (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)
- Water (18 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Abcg2 in complex with mz82 and 5d3 fab (244 kDa, Complex from Homo sapiens)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
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 [ DOI: doi:10.1073/pnas.2213437120 Pubmed: 36580587 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Tariquidar (646 Da, Ligand)
- Abcg2 in complex with tariquidar under turnover condition (144 kDa, Complex from Homo sapiens)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
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 [ DOI: doi:10.1073/pnas.2213437120 Pubmed: 36580587 ]
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Abcg2 in complex with tariquidar under turnover condition (144 kDa, Complex from Homo sapiens)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- Tariquidar (646 Da, Ligand)
- Diundecyl phosphatidyl choline (622 Da, Ligand)
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 7oj8
Q-score: 0.437
Yu Q, Ni D, Kowal J, Manolaridis I, Jackson SM, Stahlberg H, Locher KP
Nat Commun (2021) 12 pp. 4376-4376 [ Pubmed: 34282134 DOI: doi:10.1038/s41467-021-24651-2 ]
- Estrone 3-sulfate (350 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Abcg2 in complex with e1s under turnover condition (144 kDa, Complex from Homo sapiens)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
ABCG2 topotecan turnover-1 state
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 7ojh
Q-score: 0.513
Yu Q, Ni D, Kowal J, Manolaridis I, Jackson SM, Stahlberg H, Locher KP
Nat Commun (2021) 12 pp. 4376-4376 [ Pubmed: 34282134 DOI: doi:10.1038/s41467-021-24651-2 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- Abcg2 in complex with topotecan under turnover condition (144 kDa, Complex from Homo sapiens)
- (s)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1h-pyrano[3',4':6,7]inolizino[1,2-b]-quinoline-3,14(4h,12h)-dione (421 Da, Ligand)
ABCG2 topotecan turnover-2 state
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 7oji
Q-score: 0.485
Yu Q, Ni D, Kowal J, Manolaridis I, Jackson SM, Stahlberg H, Locher KP
Nat Commun (2021) 12 pp. 4376-4376 [ Pubmed: 34282134 DOI: doi:10.1038/s41467-021-24651-2 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- Abcg2 in complex with topotecan under turnover condition (144 kDa, Complex from Homo sapiens)
- Diundecyl phosphatidyl choline (622 Da, Ligand)
- (s)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1h-pyrano[3',4':6,7]inolizino[1,2-b]-quinoline-3,14(4h,12h)-dione (421 Da, Ligand)