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 ]
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- ~{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)
- Abcg2 in complex with mz29 and 5d3 fab (244 kDa, Complex from Homo sapiens)
- Water (18 Da, Ligand)
- Cholesterol (386 Da, Ligand)
Structure of 5D3-Fab and nanobody(Nb8)-bound ABCG2
Resolution: 3.04 Å
EM Method: Single-particle
Fitted PDBs: 8p7w
Q-score: 0.511
Irobalieva RN, Manolaridis I, Jackson SM, Ni D, Pardon E, Stahlberg H, Steyaert J, Locher KP
J Mol Biol (2023) 435 pp. 168234-168234 [ Pubmed: 37597690 DOI: doi:10.1016/j.jmb.2023.168234 ]
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- 5d3(fab) heavy and light chain variable domain (Complex from Mus musculus)
- Nanobody (Complex from Lama glama)
- Nanobody (13 kDa, Protein from Lama glama)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Structure of nanobody (nb8)-bound abcg2 (Complex)
- Atp-binding cassette sub-family g member 2 (Complex from Homo sapiens)
Structure of 5D3-Fab and nanobody(Nb17)-bound ABCG2
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 8p8a
Q-score: 0.52
Irobalieva RN, Manolaridis I, Jackson SM, Ni D, Pardon E, Stahlberg H, Steyaert J, Locher KP
J Mol Biol (2023) 435 pp. 168234-168234 [ Pubmed: 37597690 DOI: doi:10.1016/j.jmb.2023.168234 ]
- Structure of nanobody (nb8)-bound abcg2 (Complex from Homo sapiens)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
- 5d3(fab) heavy chain variable domain (17 kDa, Protein from Mus musculus)
- Nanobody (13 kDa, Protein from Lama glama)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
Structure of 5D3-Fab and nanobody(Nb96)-bound ABCG2
Resolution: 3.49 Å
EM Method: Single-particle
Fitted PDBs: 8p8j
Q-score: 0.471
Irobalieva RN, Manolaridis I, Jackson SM, Ni D, Pardon E, Stahlberg H, Steyaert J, Locher KP
J Mol Biol (2023) 435 pp. 168234-168234 [ Pubmed: 37597690 DOI: doi:10.1016/j.jmb.2023.168234 ]
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- 5d3(fab) heavy and light chain variable domain (Complex from Mus musculus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Nanobody (Complex from Lama glama)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Structure of nanobody (nb96)-bound abcg2 (Complex)
- Nanobody (13 kDa, Protein from Lama glama)
- Atp-binding cassette sub-family g member 2 (Complex from Homo sapiens)
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 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Abcg2 in complex with e1s under turnover condition (144 kDa, Complex from Homo sapiens)
- Estrone 3-sulfate (350 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- 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 ]
- Abcg2 in complex with topotecan under turnover condition (144 kDa, Complex from Homo sapiens)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Cholesterol (386 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)
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 ]
- Diundecyl phosphatidyl choline (622 Da, Ligand)
- Abcg2 in complex with topotecan under turnover condition (144 kDa, Complex from Homo sapiens)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Cholesterol (386 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)
Structure of tariquidar-bound ABCG2
Resolution: 3.12 Å
EM Method: Single-particle
Fitted PDBs: 7neq
Q-score: 0.535
Kowal J, Ni D, Jackson SM, Manolaridis I, Stahlberg H, Locher KP
J Mol Biol (2021) 433 pp. 166980-166980 [ DOI: doi:10.1016/j.jmb.2021.166980 Pubmed: 33838147 ]
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Water (18 Da, Ligand)
- 5d3(fab) light- and heavy-chain variable domains (Complex from Mus musculus)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
- [(2~{s})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate (635 Da, Ligand)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Multidrug transporter abcg2 with bound substrate tariquidar and 5d3-fab variable domain (250 kDa, Complex)
- Cholesterol (386 Da, Ligand)
- Atp-binding cassette sub-family g member 2 (Complex from Homo sapiens)
- Tariquidar (646 Da, Ligand)
Structure of topotecan-bound ABCG2
Resolution: 3.39 Å
EM Method: Single-particle
Fitted PDBs: 7nez
Q-score: 0.362
Kowal J, Ni D, Jackson SM, Manolaridis I, Stahlberg H, Locher KP
J Mol Biol (2021) 433 pp. 166980-166980 [ DOI: doi:10.1016/j.jmb.2021.166980 Pubmed: 33838147 ]
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
- Multidrug transporter abcg2 with bound substrate topotecan (Complex from Homo sapiens)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Multidrug transporter abcg2 with bound substrate topotecan and 5d3-fab variable domain (250 kDa, Complex)
- 5d3-fab variable domain (Complex from Mus musculus)
- (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)
Structure of mitoxantrone-bound ABCG2
Resolution: 3.51 Å
EM Method: Single-particle
Fitted PDBs: 7nfd
Q-score: 0.462
Kowal J, Ni D, Jackson SM, Manolaridis I, Stahlberg H, Locher KP
J Mol Biol (2021) 433 pp. 166980-166980 [ DOI: doi:10.1016/j.jmb.2021.166980 Pubmed: 33838147 ]
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-anthracenedione (444 Da, Ligand)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Multidrug transporter abcg2 with bound substrate mitoxantrone and 5d3-fab variable domain (250 kDa, Complex)
- Multidrug transporter abcg2 with bound substrate mitoxantrone (Complex from Homo sapiens)
- 5d3-fab variable domain (Complex from Mus musculus)