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 ]
- (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)
- 5d3(fab) heavy chain variable domain|mus musculus (23 kDa, Protein from Mus musculus)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Abcg2 in complex with az99 and 5d3 fab (244 kDa, Complex from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- Broad substrate specificity atp-binding cassette transporter abcg2 (73 kDa, Protein 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) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- 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)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Abcg2 in complex with ko143 and 5d3 fab (244 kDa, Complex from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- Water (18 Da, Ligand)
- 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) heavy chain variable domain (23 kDa, Protein from Mus musculus)
- 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 in complex with mz29 and 5d3 fab (244 kDa, Complex from Homo sapiens)
- Water (18 Da, Ligand)
- Cholesterol (386 Da, Ligand)
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) 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)
- 5d3(fab) light chain variable domain (23 kDa, Protein from Mus musculus)
- Cholesterol (386 Da, Ligand)
- Water (18 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 human oligosaccharyltransferase OST-A complex bound to NGI-1
Resolution: 3.61 Å
EM Method: Single-particle
Fitted PDBs: 8pn9
Q-score: 0.474
Lampson BL, Ramirez AS, Baro M, He L, Hegde M, Koduri V, Pfaff JL, Hanna RE, Kowal J, Shirole NH, He Y, Doench JG, Contessa JN, Locher KP, Kaelin Jr WG
Cell (2024) 187 pp. 2209-2223.e16 [ DOI: doi:10.1016/j.cell.2024.03.022 Pubmed: 38670073 ]
- (2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-[(1~{s},2~{r},3~{r},4~{r},5'~{s},6~{s},7~{r},8~{s},9~{r},12~{r},13~{r},15~{s},16~{s},18~{r})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol (610 Da, Ligand)
- Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 2 (69 kDa, Protein from Homo sapiens)
- Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kda subunit (50 kDa, Protein from Homo sapiens)
- (2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphate (722 Da, Ligand)
- Oligosaccharyltransferase complex ost-a with bound ngi-1 inhibitor (Complex from Homo sapiens)
- Oligosaccharyltransferase complex subunit ostc (16 kDa, Protein from Homo sapiens)
- Transmembrane protein 258 (9 kDa, Protein from Homo sapiens)
- Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (68 kDa, Protein from Homo sapiens)
- (4r,7r)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium (636 Da, Ligand)
- Manganese (ii) ion (54 Da, Ligand)
- Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit stt3a (80 kDa, Protein from Homo sapiens)
- 5-(dimethylsulfamoyl)-~{n}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide (394 Da, Ligand)
- Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 4 (4 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit dad1 (12 kDa, Protein from Homo sapiens)
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 ]
- Heavy chain of fab3 (25 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Polymerase (5 kDa, Protein from hepatitis B virus genotype C)
- Fab-specific nanobody (13 kDa, Protein from Lama glama)
- Sodium/bile acid cotransporter (38 kDa, Protein from Homo sapiens)
- N-tetradecanoylglycine (285 Da, Ligand)
- 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)
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'-diphosphate (427 Da, Ligand)
- Vanadate ion (114 Da, Ligand)
- Bile salt export pump (146 kDa, Protein from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- Water (18 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 ]
- The complex of bsep with inhibitor gbm (146 kDa, Complex from Homo sapiens)
- Bile salt export pump (146 kDa, Protein from Homo sapiens)
- 5-chloro-n-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide (494 Da, Ligand)
- Cholesterol (386 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 [ DOI: doi:10.1038/s41467-023-43109-1 Pubmed: 37949847 ]
- Bile salt export pump (146 kDa, Protein from Homo sapiens)
- Nucleotide-bound bsep in nanodiscs (146 kDa, Complex from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Water (18 Da, Ligand)
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 [ Pubmed: 37723174 DOI: doi:10.1038/s41467-023-41552-8 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Fab19 (heavy chain, variable region) (25 kDa, Protein from Homo sapiens)
- Bicarbonate ion (61 Da, Ligand)
- Solute carrier organic anion transporter family member 1b3 (77 kDa, Protein from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- Human oatp1b3 (180 kDa, Complex from Homo sapiens)
- Fab19 (light chain, variable region) (23 kDa, Protein from Homo sapiens)