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
To Be Published
- N-tetradecanoylglycine (285 Da, Ligand)
- Sodium/bile acid cotransporter (38 kDa, Protein from Homo sapiens)
- Fab-specific nanobody (13 kDa, Protein from Lama glama)
- Light chain of fab3 (23 kDa, Protein from Homo sapiens)
- Structure of bulevirtide-bound human ntcp in complex with fab and nanobody (110 kDa, Complex from Homo sapiens)
- Polymerase (5 kDa, Protein from hepatitis B virus genotype C)
- Water (18 Da, Ligand)
- Heavy chain of fab3 (25 kDa, Protein from Homo sapiens)
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 [ DOI: doi:10.1038/s41467-023-43109-1 Pubmed: 37949847 ]
- Vanadate-trapped bsep in nanodiscs (146 kDa, Complex from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Bile salt export pump (146 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- 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 [ DOI: doi:10.1038/s41467-023-43109-1 Pubmed: 37949847 ]
- Cholesterol (386 Da, Ligand)
- 5-chloro-n-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide (494 Da, Ligand)
- The complex of bsep with inhibitor gbm (146 kDa, Complex from Homo sapiens)
- Bile salt export pump (146 kDa, Protein from Homo sapiens)
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 [ DOI: doi:10.1038/s41467-023-43109-1 Pubmed: 37949847 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Water (18 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Bile salt export pump (146 kDa, Protein from Homo sapiens)
- Nucleotide-bound bsep in nanodiscs (146 kDa, Complex from Homo sapiens)
Resolution: 2.97 Å
EM Method: Single-particle
Fitted PDBs: 8pg0
Q-score: 0.528
Ciuta AD, Nosol K, Kowal J, Mukherjee S, Ramirez AS, Stieger B, Kossiakoff AA, Locher KP
Nat Commun (2023) 14 pp. 5774-5774 [ DOI: doi:10.1038/s41467-023-41552-8 Pubmed: 37723174 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Human oatp1b3 (180 kDa, Complex from Homo sapiens)
- Fab19 (light chain, variable region) (23 kDa, Protein from Homo sapiens)
- Solute carrier organic anion transporter family member 1b3 (77 kDa, Protein from Homo sapiens)
- Bicarbonate ion (61 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Fab19 (heavy chain, variable region) (25 kDa, Protein from Homo sapiens)
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 8phw
Q-score: 0.38
Ciuta AD, Nosol K, Kowal J, Mukherjee S, Ramirez AS, Stieger B, Kossiakoff AA, Locher KP
Nat Commun (2023) 14 pp. 5774-5774 [ DOI: doi:10.1038/s41467-023-41552-8 Pubmed: 37723174 ]
- Estrone 3-sulfate (350 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Solute carrier organic anion transporter family member 1b1 (Complex from Homo sapiens)
- Fab18 (light chain, variable region) (23 kDa, Protein from Homo sapiens)
- Human oatp1b1 (180 kDa, Complex)
- Solute carrier organic anion transporter family member 1b1 (76 kDa, Protein from Homo sapiens)
- Fab18 (heavy chain, variable region) (24 kDa, Protein from Homo sapiens)
- Fab18 (variable region) (Complex from Homo sapiens)
Structure of 5D3-Fab and nanobody(Nb17)-bound ABCG2
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 8p8a
Q-score: 0.52
Irobalieva RN, Manolaridis I, Jackson SM, Ni D, Pardon E, Stahlberg H, Steyaert J, Locher KP
J Mol Biol (2023) 435 pp. 168234-168234 [ DOI: doi:10.1016/j.jmb.2023.168234 Pubmed: 37597690 ]
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Structure of nanobody (nb8)-bound abcg2 (Complex from Homo sapiens)
- Atp-binding cassette sub-family g member 2 (72 kDa, Protein from Homo sapiens)
- 5d3(fab) heavy chain variable domain (17 kDa, Protein from Mus musculus)
- Nanobody (13 kDa, Protein from Lama glama)
Resolution: 2.72 Å
EM Method: Single-particle
Fitted PDBs: 7zlg
Q-score: 0.454
Bloch JS, John A, Mao R, Mukherjee S, Boilevin J, Irobalieva RN, Darbre T, Scott NE, Reymond JL, Kossiakoff AA, Goddard-Borger ED, Locher KP
Nat Chem Biol (2023) 19 pp. 575-584 [ Pubmed: 36604564 DOI: doi:10.1038/s41589-022-01219-9 ]
- Synthetic octapeptide wehi 1886493 (821 Da, Protein from synthetic construct)
- Cmt2-fab heavy chain (25 kDa, Protein from synthetic construct)
- Cmt2-fab light chain (23 kDa, Protein from synthetic construct)
- C-mannosyltransferase dpy-19 (80 kDa, Protein from Caenorhabditis elegans)
- Water (18 Da, Ligand)
- Anti-fab nanobody (13 kDa, Protein from synthetic construct)
- C-mannosyltransferase cedpy19, in complex with acceptor peptide and bound to cmt2-fab and anti-fab nanobody (Complex from Caenorhabditis elegans)
Resolution: 2.75 Å
EM Method: Single-particle
Fitted PDBs: 7zlh
Q-score: 0.455
Bloch JS, John A, Mao R, Mukherjee S, Boilevin J, Irobalieva RN, Darbre T, Scott NE, Reymond JL, Kossiakoff AA, Goddard-Borger ED, Locher KP
Nat Chem Biol (2023) 19 pp. 575-584 [ Pubmed: 36604564 DOI: doi:10.1038/s41589-022-01219-9 ]
- Cmt2-fab heavy chain (25 kDa, Protein from synthetic construct)
- Cmt2-fab light chain (23 kDa, Protein from synthetic construct)
- C-mannosyltransferase dpy-19 (80 kDa, Protein from Caenorhabditis elegans)
- Water (18 Da, Ligand)
- C-mannosyltransferase cedpy19, in apo state, bound to cmt2-fab and anti-fab nanobody (Complex from Caenorhabditis elegans)
- Anti-fab nanobody (13 kDa, Protein from synthetic construct)
Resolution: 2.99 Å
EM Method: Single-particle
Fitted PDBs: 7zli
Q-score: 0.496
Bloch JS, John A, Mao R, Mukherjee S, Boilevin J, Irobalieva RN, Darbre T, Scott NE, Reymond JL, Kossiakoff AA, Goddard-Borger ED, Locher KP
Nat Chem Biol (2023) 19 pp. 575-584 [ Pubmed: 36604564 DOI: doi:10.1038/s41589-022-01219-9 ]
- Cmt2-fab heavy chain (25 kDa, Protein from synthetic construct)
- Cmt2-fab light chain (23 kDa, Protein from synthetic construct)
- C-mannosyltransferase dpy-19 (80 kDa, Protein from Caenorhabditis elegans)
- Water (18 Da, Ligand)
- [(2~{s},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{s},6~{z},10~{e},14~{e})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate (602 Da, Ligand)
- C-mannosyltransferase cedpy19, in complex with dol25-p-man and bound to cmt2-fab and anti-fab nanobody (Complex from Caenorhabditis elegans)
- Anti-fab nanobody (13 kDa, Protein from synthetic construct)