Encequidar-bound human P-glycoprotein in complex with UIC2-Fab
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 7o9w
Q-score: 0.321
Urgaonkar S, Nosol K, Said AM, Nasief NN, Bu Y, Locher KP, Lau JYN, Smolinski MP
J Med Chem (2022) 65 pp. 191-216 [ Pubmed: 34928144 DOI: doi:10.1021/acs.jmedchem.1c01272 ]
- Multidrug resistance protein 1 (Complex from Homo sapiens)
- Nanodisc reconstituted human p-glycoprotein in complex with uic2-fab and encequidar (240 kDa, Complex)
- Fab (Complex from Mus musculus)
- ~{n}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{h}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide (690 Da, Ligand)
- Uic2 fab-fragment heavy chain (24 kDa, Protein from Mus musculus)
- Multidrug resistance protein 1 (141 kDa, Protein from Homo sapiens)
- Uic2 fab-fragment light chain (24 kDa, Protein from Mus musculus)
Nanodisc reconstituted, drug-free human ABCB1 in complex with MRK16 Fab
Resolution: 3.9 Å
EM Method: Single-particle
Fitted PDBs: 7a65
Q-score: 0.333
Nosol K, Romane K, Irobalieva RN, Alam A, Kowal J, Fujita N, Locher KP
PNAS (2020) 117 pp. 26245-26253 [ Pubmed: 33020312 DOI: doi:10.1073/pnas.2010264117 ]
- Multidrug resistance protein 1 (Complex from Homo sapiens)
- Mrk16 fab-fragment light and heavy chain (Complex from Mus musculus)
- Mrk16 fab-fragment light chain (24 kDa, Protein from Mus musculus)
- Multidrug resistance protein 1 (141 kDa, Protein from Homo sapiens)
- Mrk16 fab-fragment heavy chain (23 kDa, Protein from Mus musculus)
- Cholesterol (386 Da, Ligand)
- Nanodisc reconstituted, drug-free human abcb1 in complex with mrk16 fab (240 kDa, Complex)
Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and elacridar
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 7a6c
Q-score: 0.43
Nosol K, Romane K, Irobalieva RN, Alam A, Kowal J, Fujita N, Locher KP
PNAS (2020) 117 pp. 26245-26253 [ Pubmed: 33020312 DOI: doi:10.1073/pnas.2010264117 ]
- Multidrug resistance protein 1 (Complex from Homo sapiens)
- Mrk16 fab-fragment light and heavy chain (Complex from Mus musculus)
- Nanodisc reconstituted human abcb1 in complex with mrk16 fab and elacridar (240 kDa, Complex)
- Mrk16 fab-fragment heavy chain (23 kDa, Protein from Mus musculus)
- Elacridar (563 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Multidrug resistance protein 1 (141 kDa, Protein from Homo sapiens)
- If kappa light chain (24 kDa, Protein from Mus musculus)
Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and tariquidar
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 7a6e
Q-score: 0.335
Nosol K, Romane K, Irobalieva RN, Alam A, Kowal J, Fujita N, Locher KP
PNAS (2020) 117 pp. 26245-26253 [ Pubmed: 33020312 DOI: doi:10.1073/pnas.2010264117 ]
- Multidrug resistance protein 1 (Complex from Homo sapiens)
- Mrk16 fab-fragment light and heavy chain (Complex from Mus musculus)
- Nanodisc reconstituted human abcb1 in complex with mrk16 fab and tariquidar (240 kDa, Complex)
- Mrk16 fab-fragment light chain (24 kDa, Protein from Mus musculus)
- Mrk16 fab-fragment heavy chain (23 kDa, Protein from Mus musculus)
- Tariquidar (646 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Multidrug resistance protein 1 (141 kDa, Protein from Homo sapiens)
Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and zosuquidar
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 7a6f
Q-score: 0.417
Nosol K, Romane K, Irobalieva RN, Alam A, Kowal J, Fujita N, Locher KP
PNAS (2020) 117 pp. 26245-26253 [ Pubmed: 33020312 DOI: doi:10.1073/pnas.2010264117 ]
- Nanodisc reconstituted human abcb1 in complex with mrk16 fab and zosuquidar (240 kDa, Complex)
- Zosuquidar (527 Da, Ligand)
- Multidrug resistance protein 1 (Complex from Homo sapiens)
- Mrk16 fab-fragment light and heavy chain (Complex from Mus musculus)
- Mrk16 fab-fragment light chain (24 kDa, Protein from Mus musculus)
- Mrk16 fab-fragment heavy chain (23 kDa, Protein from Mus musculus)
- Cholesterol (386 Da, Ligand)
- Multidrug resistance protein 1 (141 kDa, Protein from Homo sapiens)
Nanodisc reconstituted human ABCB1 in complex with UIC2 fab and taxol
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 6qex
Q-score: 0.392
Alam A, Kowal J, Broude E, Roninson I, Locher KP
Science (2019) 363 pp. 753-756 [ DOI: doi:10.1126/science.aav7102 Pubmed: 30765569 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-distearoyl-sn-glycerophosphoethanolamine (748 Da, Ligand)
- Uic2 fab (Complex from Mus musculus)
- Nanodisc reconstituted human abcb1 (Complex from Homo sapiens)
- Nanodisc reconstituted human abcb1 in complex with uic2 fab and taxol (200 kDa, Complex)
- Uic2 fab lightchain (24 kDa, Protein from Mus musculus)
- Cholesterol (386 Da, Ligand)
- Multidrug resistance protein 1 (141 kDa, Protein from Homo sapiens)
- Uic2 fab heavy chain (24 kDa, Protein from Mus musculus)
- Taxol (853 Da, Ligand)
Molecular structure of human P-glycoprotein in the ATP-bound, outward-facing conformation
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 6c0v
Q-score: 0.433
Science (2018) 359 pp. 915-919 [ Pubmed: 29371429 DOI: doi:10.1126/science.aar7389 ]
- Magnesium ion (24 Da, Ligand)
- Human p-glycoprotein e556q, e1201q (141 kDa, Complex from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Multidrug resistance protein 1 (142 kDa, Protein from Homo sapiens)