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) light chain variable domain (23 kDa, Protein from Mus musculus)
- 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)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- Cholesterol (386 Da, Ligand)
- Abcg2 in complex with mz29 and 5d3 fab (244 kDa, Complex from Homo sapiens)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
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 [ DOI: doi:10.1016/j.jmb.2023.168234 Pubmed: 37597690 ]
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- Nanobody (13 kDa, Protein from Lama glama)
- 5d3(fab) heavy and light chain variable domain (Complex from Mus musculus)
- Structure of nanobody (nb8)-bound abcg2 (Complex)
- Atp-binding cassette sub-family g member 2 (Complex from Homo sapiens)
- Nanobody (Complex from Lama glama)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein 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 [ DOI: doi:10.1016/j.jmb.2023.168234 Pubmed: 37597690 ]
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- 5d3(fab) heavy chain variable domain (17 kDa, Protein from Mus musculus)
- Structure of nanobody (nb8)-bound abcg2 (Complex from Homo sapiens)
- Nanobody (13 kDa, Protein from Lama glama)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
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 [ DOI: doi:10.1016/j.jmb.2023.168234 Pubmed: 37597690 ]
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- Structure of nanobody (nb96)-bound abcg2 (Complex)
- Nanobody (13 kDa, Protein from Lama glama)
- 5d3(fab) heavy and light chain variable domain (Complex from Mus musculus)
- Atp-binding cassette sub-family g member 2 (Complex from Homo sapiens)
- Nanobody (Complex from Lama glama)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
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 [ Pubmed: 33838147 DOI: doi:10.1016/j.jmb.2021.166980 ]
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Water (18 Da, Ligand)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- 5d3(fab) light- and heavy-chain variable domains (Complex from Mus musculus)
- Multidrug transporter abcg2 with bound substrate tariquidar and 5d3-fab variable domain (250 kDa, Complex)
- Atp-binding cassette sub-family g member 2 (Complex from Homo sapiens)
- Tariquidar (646 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- [(2~{s})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate (635 Da, Ligand)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
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 [ Pubmed: 33838147 DOI: doi:10.1016/j.jmb.2021.166980 ]
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein 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)
- Multidrug transporter abcg2 with bound substrate topotecan (Complex from Homo sapiens)
- 5d3-fab variable domain (Complex from Mus musculus)
- Multidrug transporter abcg2 with bound substrate topotecan and 5d3-fab variable domain (250 kDa, Complex)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
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 [ Pubmed: 33838147 DOI: doi:10.1016/j.jmb.2021.166980 ]
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Multidrug transporter abcg2 with bound substrate mitoxantrone (Complex from Homo sapiens)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- 5d3-fab variable domain (Complex from Mus musculus)
- 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-anthracenedione (444 Da, Ligand)
- Multidrug transporter abcg2 with bound substrate mitoxantrone and 5d3-fab variable domain (250 kDa, Complex)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
Structure of inhibitor-bound ABCG2
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 6eti
Q-score: 0.561
Jackson SM, Manolaridis I, Kowal J, Zechner M, Taylor NMI, Bause M, Bauer S, Bartholomaeus R, Bernhardt G, Koenig B, Buschauer A, Stahlberg H, Altmann KH, Locher KP
Nat Struct Mol Biol (2018) 25 pp. 333-340 [ DOI: doi:10.1038/s41594-018-0049-1 Pubmed: 29610494 ]
- 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)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- Abcg2 (Complex from HOMO SAPIENS)
- Inhibitor-bound abcg2 (Complex)
- Inhibitor (Complex from MUS MUSCULUS)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
Structure of inhibitor-bound ABCG2
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 6feq
Q-score: 0.428
Jackson SM, Manolaridis I, Kowal J, Zechner M, Taylor NMI, Bause M, Bauer S, Bartholomaeus R, Bernhardt G, Koenig B, Buschauer A, Stahlberg H, Altmann KH, Locher KP
Nat Struct Mol Biol (2018) 25 pp. 333-340 [ DOI: doi:10.1038/s41594-018-0049-1 Pubmed: 29610494 ]
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- Abcg2 (Complex from HOMO SAPIENS)
- Inhibitor-bound abcg2 (Complex)
- ~{n}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{h}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide (798 Da, Ligand)
- Inhibitor (Complex 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)