Cryo-EM structure of human NTCP-Bulevirtide complex
Resolution: 3.41 Å
EM Method: Single-particle
Fitted PDBs: 8rqf
Q-score: 0.492
Liu H, Zakrzewicz D, Nosol K, Irobalieva RN, Mukherjee S, Bang-Sorensen R, Goldmann N, Kunz S, Rossi L, Kossiakoff AA, Urban S, Glebe D, Geyer J, Locher KP
Nat Commun (2024) 15 pp. 2476-2476 [ DOI: doi:10.1038/s41467-024-46706-w Pubmed: 38509088 ]
- Structure of bulevirtide-bound human ntcp in complex with fab and nanobody (110 kDa, Complex from Homo sapiens)
- Water (18 Da, Ligand)
- Light chain of fab3 (23 kDa, Protein from Homo sapiens)
- Heavy chain of fab3 (25 kDa, Protein from Homo sapiens)
- Polymerase (5 kDa, Protein from hepatitis B virus genotype C)
- Sodium/bile acid cotransporter (38 kDa, Protein from Homo sapiens)
- Fab-specific nanobody (13 kDa, Protein from Lama glama)
- N-tetradecanoylglycine (285 Da, Ligand)
Vanadate-trapped BSEP in nanodiscs
Resolution: 2.81 Å
EM Method: Single-particle
Fitted PDBs: 8pmj
Q-score: 0.59
Liu H, Irobalieva RN, Kowal J, Ni D, Nosol K, Bang-Sorensen R, Lancien L, Stahlberg H, Stieger B, Locher KP
Nat Commun (2023) 14 pp. 7296-7296 [ Pubmed: 37949847 DOI: doi:10.1038/s41467-023-43109-1 ]
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Water (18 Da, Ligand)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Bile salt export pump (146 kDa, Protein from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- Vanadate-trapped bsep in nanodiscs (146 kDa, Complex from Homo sapiens)
- Vanadate ion (114 Da, Ligand)
Human bile salt export pump (BSEP) in complex with inhibitor GBM in nanodiscs
Resolution: 3.22 Å
EM Method: Single-particle
Fitted PDBs: 8pm6
Q-score: 0.428
Liu H, Irobalieva RN, Kowal J, Ni D, Nosol K, Bang-Sorensen R, Lancien L, Stahlberg H, Stieger B, Locher KP
Nat Commun (2023) 14 pp. 7296-7296 [ Pubmed: 37949847 DOI: doi:10.1038/s41467-023-43109-1 ]
- Cholesterol (386 Da, Ligand)
- Bile salt export pump (146 kDa, Protein from Homo sapiens)
- The complex of bsep with inhibitor gbm (146 kDa, Complex from Homo sapiens)
- 5-chloro-n-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide (494 Da, Ligand)
Nucleotide-bound BSEP in nanodiscs
Resolution: 2.95 Å
EM Method: Single-particle
Fitted PDBs: 8pmd
Q-score: 0.519
Liu H, Irobalieva RN, Kowal J, Ni D, Nosol K, Bang-Sorensen R, Lancien L, Stahlberg H, Stieger B, Locher KP
Nat Commun (2023) 14 pp. 7296-7296 [ Pubmed: 37949847 DOI: doi:10.1038/s41467-023-43109-1 ]
- Water (18 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Nucleotide-bound bsep in nanodiscs (146 kDa, Complex from Homo sapiens)
- Bile salt export pump (146 kDa, Protein from Homo sapiens)
Structure of the human sodium/bile acid cotransporter (NTCP) in complex with Fab and nanobody
Resolution: 2.88 Å
EM Method: Single-particle
Fitted PDBs: 7zyi
Q-score: 0.502
Liu H, Irobalieva RN, Bang-Sorensen R, Nosol K, Mukherjee S, Agrawal P, Stieger B, Kossiakoff AA, Locher KP
Cell Res (2022) 32 pp. 773-776 [ Pubmed: 35726088 DOI: doi:10.1038/s41422-022-00680-4 ]
- Water (18 Da, Ligand)
- Nanobody (13 kDa, Protein from Lama glama)
- Glycochenodeoxycholic acid (449 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- Sodium/bile acid cotransporter (38 kDa, Protein from Homo sapiens)
- Light chain of fab (23 kDa, Protein from Mus musculus)
- Heavy chain of fab (25 kDa, Protein from Mus musculus)
- Cholesterol (386 Da, Ligand)
- Sodium/bile acid cotransporter (ntcp) in complex with fab and nanobody (110 kDa, Complex from Homo sapiens)
Resolution: 4.2 Å
EM Method: Single-particle
Fitted PDBs: 7niu
Q-score: 0.333
Nosol K, Bang-Sorensen R, Irobalieva RN, Erramilli SK, Stieger B, Kossiakoff AA, Locher KP
PNAS (2021) 118 [ Pubmed: 34385322 DOI: doi:10.1073/pnas.2106702118 ]
- 4b1 fab-fragment heavy chain (25 kDa, Protein from Homo sapiens)
- Qa2 fab-fragment light chain (23 kDa, Protein from Homo sapiens)
- 4b1 fab-fragment: light and heavy chain (Complex from Homo sapiens)
- Isoform 2 of phosphatidylcholine translocator abcb4 (140 kDa, Protein from Homo sapiens)
- Nanodisc reconstituted human abcb4 in complex with 4b1-fab and qa2-fab (apo-inward-open conformation) (340 kDa, Complex)
- Qa2 fab-fragment: light and heavy chain (Complex from Homo sapiens)
- Qa2 fab-fragment heavy chain (24 kDa, Protein from Homo sapiens)
- Phosphatidylcholine translocator abcb4 (Complex from Homo sapiens)
- 4b1 fab-fragment light chain (23 kDa, Protein from Homo sapiens)
- Cholesterol (386 Da, Ligand)
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 7niv
Q-score: 0.382
Nosol K, Bang-Sorensen R, Irobalieva RN, Erramilli SK, Stieger B, Kossiakoff AA, Locher KP
PNAS (2021) 118 [ Pubmed: 34385322 DOI: doi:10.1073/pnas.2106702118 ]
- Qa2 fab-fragment light chain (23 kDa, Protein from Homo sapiens)
- Qa2 fab-fragment: light and heavy chain (Complex from Homo sapiens)
- 4b1 fab-fragment: light and heavy chain (Complex from Homo sapiens)
- Isoform 2 of phosphatidylcholine translocator abcb4 (140 kDa, Protein from Homo sapiens)
- 1,2-dilinoleoyl-sn-glycero-3-phosphocholine (782 Da, Ligand)
- Qa2 fab-fragment light chain (24 kDa, Protein from Homo sapiens)
- Phosphatidylcholine translocator abcb4 (Complex from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- 4b1 fab-fragment light chain (23 kDa, Protein from Homo sapiens)
- Nanodisc reconstituted human abcb4 in complex with 4b1-fab and qa2-fab (phosphatidylcholine-bound, occluded conformation) (340 kDa, Complex)
- 4b1 fab-fragment light chain (25 kDa, Protein from Homo sapiens)
Resolution: 3.8 Å
EM Method: Single-particle
Fitted PDBs: 7niw
Q-score: 0.452
Nosol K, Bang-Sorensen R, Irobalieva RN, Erramilli SK, Stieger B, Kossiakoff AA, Locher KP
PNAS (2021) 118 [ Pubmed: 34385322 DOI: doi:10.1073/pnas.2106702118 ]
- 4b1 fab-fragment heavy chain (25 kDa, Protein from Homo sapiens)
- Nanodisc reconstituted human abcb4 in complex with 4b1-fab (posaconazole-bound, inward-open conformation) (140 kDa, Complex)
- 1,2-dilinoleoyl-sn-glycero-3-phosphocholine (782 Da, Ligand)
- Phosphatidylcholine translocator abcb4 (Complex from Homo sapiens)
- 4b1 fab-fragment: heavy chain (Complex from Homo sapiens)
- 4b1 fab-fragment: light chain (Complex from Homo sapiens)
- 4b1 fab-fragment light chain (23 kDa, Protein from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- Phosphatidylcholine translocator abcb4 (140 kDa, Protein from Homo sapiens)
- Posaconazole (700 Da, Ligand)
Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and vincristine
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 7a69
Q-score: 0.381
Nosol K, Romane K, Irobalieva RN, Alam A, Kowal J, Fujita N, Locher KP
PNAS (2020) 117 pp. 26245-26253 [ DOI: doi:10.1073/pnas.2010264117 Pubmed: 33020312 ]
- Nanodisc reconstituted human abcb1 in complex with mrk16 fab and vincristine (240 kDa, Complex from Homo sapiens)
- Vincristine (824 Da, Ligand)
- 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, 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 [ DOI: doi:10.1073/pnas.2010264117 Pubmed: 33020312 ]
- 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)
- Nanodisc reconstituted, drug-free human abcb1 in complex with mrk16 fab (240 kDa, Complex)
- Cholesterol (386 Da, Ligand)
- Multidrug resistance protein 1 (141 kDa, Protein from Homo sapiens)
- Multidrug resistance protein 1 (Complex from Homo sapiens)