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)
Cryo-EM structure of the ABCG2 E211Q mutant bound to estrone 3-sulfate and 5D3-Fab
Resolution: 3.58 Å
EM Method: Single-particle
Fitted PDBs: 6hco
Q-score: 0.329
Manolaridis I, Jackson SM, Taylor NMI, Kowal J, Stahlberg H, Locher KP
Nature (2018) 563 pp. 426-430 [ Pubmed: 30405239 DOI: doi:10.1038/s41586-018-0680-3 ]
- Abcg2 e211q mutant (Complex from Homo sapiens)
- 5d3-fab heavy chain (23 kDa, Protein from Mus musculus)
- Nanodisc-reconsituted abcg2 e211q mutant bound to estrone 3-sulfate and 5d3-fab (Complex)
- Atp-binding cassette sub-family g member 2 (73 kDa, Protein from Homo sapiens)
- 5d3-fab (Complex from Mus musculus)
- Estrone 3-sulfate (350 Da, Ligand)
- 5d3-fab light chain (23 kDa, Protein 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) 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)
Structure of an ABC transporter
Resolution: 3.78 Å
EM Method: Single-particle
Fitted PDBs: 5nj3, 5njg
Q-score: 0.425
Taylor NMI, Manolaridis I, Jackson SM, Kowal J, Stahlberg H, Locher KP
Nature (2017) 546 pp. 504-509 [ Pubmed: 28554189 DOI: doi:10.1038/nature22345 ]
- Atp-binding cassette sub-family g member 2 (73 kDa, Protein from Homo sapiens)
- 5d3-fab heavy chain (23 kDa, Protein from Mus musculus)
- 5d3-fab (Complex from Mus musculus)
- 5d3-fab light chain (23 kDa, Protein from Mus musculus)
- Nanodisc-reconstituted abcg2 (Complex from Homo sapiens)
- Nanodisc-reconstituted abcg2 in complex with 5d3-fab (Complex)