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)
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)
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) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- Inhibitor (Complex from MUS MUSCULUS)
- Inhibitor-bound abcg2 (Complex)
- 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 (Complex 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) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Inhibitor (Complex from MUS MUSCULUS)
- Inhibitor-bound abcg2 (Complex)
- 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)
- ~{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)
- Abcg2 (Complex from HOMO SAPIENS)