ABCG2 in complex with AZ99 and 5D3 Fab
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8pxo
Q-score: 0.536
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)
- 5d3(fab) heavy chain variable domain|mus musculus (23 kDa, Protein from Mus musculus)
- Cholesterol (386 Da, Ligand)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
- (2s,5s,8s)-14-cyclopentyloxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione (485 Da, Ligand)
- Abcg2 in complex with az99 and 5d3 fab (244 kDa, Complex from Homo sapiens)
ABCG2 in complex with ko143 and 5D3 Fab
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8py4
Q-score: 0.546
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)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- Cholesterol (386 Da, Ligand)
- Tert-butyl 3-[(2s,5s,8s)-14-methoxy-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 (469 Da, Ligand)
- Abcg2 in complex with ko143 and 5d3 fab (244 kDa, Complex from Homo sapiens)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein from Homo sapiens)
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)
ABCG2 in complex with MZ82 and 5D3 Fab
Resolution: 2.39 Å
EM Method: Single-particle
Fitted PDBs: 8qcm
Q-score: 0.604
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)
- 5d3(fab) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- (2~{s},5~{s},8~{s})-14-methoxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione (431 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Abcg2 in complex with mz82 and 5d3 fab (244 kDa, Complex from Homo sapiens)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 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)