Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium
Resolution: 3.09 Å
EM Method: Single-particle
Fitted PDBs: 6hbu
Q-score: 0.577
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 ]
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
- Inhibitor-bound abcg2 (Complex)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- A mutant (e211q) of the atp-binding cassette sub-family g member 2 (Complex 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 ]
- Atp-binding cassette sub-family g member 2 (73 kDa, Protein from Homo sapiens)
- 5d3-fab light chain (23 kDa, Protein from Mus musculus)
- Nanodisc-reconsituted abcg2 e211q mutant bound to estrone 3-sulfate and 5d3-fab (Complex)
- 5d3-fab (Complex from Mus musculus)
- 5d3-fab heavy chain (23 kDa, Protein from Mus musculus)
- Abcg2 e211q mutant (Complex from Homo sapiens)
- Estrone 3-sulfate (350 Da, Ligand)
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)
Structure of an inhibitor-bound ABC transporter
Resolution: 3.56 Å
EM Method: Single-particle
Fitted PDBs: 6ffc
Q-score: 0.483
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 ]
- Atp-binding cassette sub-family g member 2 (73 kDa, Protein from Homo sapiens)
- Nanodisc-reconstituted abcg2 in complex with mz29 inhibitor (Complex from Homo sapiens)
- ~{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)
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 [ DOI: doi:10.1038/nature22345 Pubmed: 28554189 ]
- Atp-binding cassette sub-family g member 2 (73 kDa, Protein from Homo sapiens)
- 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)
- 5d3-fab (Complex from Mus musculus)
- 5d3-fab heavy chain (23 kDa, Protein from Mus musculus)