Cryo-EM structure of noradrenaline transporter in complex with bupropion
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8wtx
Q-score: 0.58
Hu T, Yu Z, Zhao J, Meng Y, Salomon K, Bai Q, Wei Y, Zhang J, Xu S, Dai Q, Yu R, Yang B, Loland CJ, Zhao Y
Nature (2024) 632 pp. 930-937 [ DOI: doi:10.1038/s41586-024-07638-z Pubmed: 39085602 ]
- (2~{r})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one (239 Da, Ligand)
- Sodium-dependent noradrenaline transporter (63 kDa, Protein from Homo sapiens)
- Structure of a protein (63 MDa, Complex from Homo sapiens)
Resolution: 2.49 Å
EM Method: Single-particle
Fitted PDBs: 8pk8
Q-score: 0.661
Schulz V, Steinhilper R, Oltmanns J, Freibert SA, Krapoth N, Linne U, Welsch S, Hoock MH, Schunemann V, Murphy BJ, Lill R
Nat Commun (2024) 15 pp. 3269-3269 [ DOI: doi:10.1038/s41467-024-47310-8 Pubmed: 38627381 ]
- Water (18 Da, Ligand)
- Cysteine desulfurase (44 kDa, Protein from Homo sapiens)
- Iron-sulfur cluster assembly enzyme iscu (15 kDa, Protein from Homo sapiens)
- Fe (ii) ion (55 Da, Ligand)
- Pyridoxal-5'-phosphate (247 Da, Ligand)
- Frataxin mature form (14 kDa, Protein from Homo sapiens)
- Lyr motif-containing protein 4 (13 kDa, Protein from Homo sapiens)
- S-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate (540 Da, Ligand)
- Iron-bound human nfs1-isd11-acp1-iscu2-fxn (fe-niaux) complex during persulfide transfer (Complex from Homo sapiens)
- Acyl carrier protein (8 kDa, Protein from Escherichia coli BL21(DE3))
Resolution: 2.58 Å
EM Method: Single-particle
Fitted PDBs: 8pk9
Q-score: 0.661
Schulz V, Steinhilper R, Oltmanns J, Freibert SA, Krapoth N, Linne U, Welsch S, Hoock MH, Schunemann V, Murphy BJ, Lill R
Nat Commun (2024) 15 pp. 3269-3269 [ DOI: doi:10.1038/s41467-024-47310-8 Pubmed: 38627381 ]
- Water (18 Da, Ligand)
- Iron-sulfur cluster assembly enzyme iscu (15 kDa, Protein from Homo sapiens)
- Cysteine desulfurase (44 kDa, Protein from Homo sapiens)
- Fe (ii) ion (55 Da, Ligand)
- Pyridoxal-5'-phosphate (247 Da, Ligand)
- Frataxin mature form (14 kDa, Protein from Homo sapiens)
- Lyr motif-containing protein 4 (13 kDa, Protein from Homo sapiens)
- S-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate (540 Da, Ligand)
- Iron-bound human nfs1-isd11-acp1-iscu2-fxn (fe-niaux) complex during persulfide transfer (Complex from Homo sapiens)
- Acyl carrier protein (8 kDa, Protein from Escherichia coli BL21(DE3))
Resolution: 2.75 Å
EM Method: Single-particle
Fitted PDBs: 8pka
Q-score: 0.624
Schulz V, Steinhilper R, Oltmanns J, Freibert SA, Krapoth N, Linne U, Welsch S, Hoock MH, Schunemann V, Murphy BJ, Lill R
Nat Commun (2024) 15 pp. 3269-3269 [ DOI: doi:10.1038/s41467-024-47310-8 Pubmed: 38627381 ]
- Water (18 Da, Ligand)
- Cysteine desulfurase, lyr motif-containing protein 4 and iron-sulfur cluster assembly enzyme iscu (Complex from Homo sapiens)
- Iron-bound human nfs1-isd11-acp1-iscu2-fxn (fe-niaux) complex during persulfide transfer (Complex)
- Cysteine desulfurase (44 kDa, Protein from Homo sapiens)
- Acyl carrier protein (Complex from Escherichia coli BL21(DE3))
- Fe (ii) ion (55 Da, Ligand)
- Pyridoxal-5'-phosphate (247 Da, Ligand)
- Lyr motif-containing protein 4 (13 kDa, Protein from Homo sapiens)
- S-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate (540 Da, Ligand)
- Acyl carrier protein (8 kDa, Protein from Escherichia coli BL21(DE3))
- Iron-sulfur cluster assembly enzyme iscu (15 kDa, Protein from Homo sapiens)
Resolution: 2.08 Å
EM Method: Single-particle
Fitted PDBs: 7zyl
Q-score: 0.675
MicroED structure of A2A from plasma milled lamellae
Resolution: 2.0 Å
EM Method: Electron Crystallography
Fitted PDBs: 8fyn
Q-score: 0.711
Martynowycz MW, Shiriaeva A, Clabbers MTB, Nicolas WJ, Weaver SJ, Hattne J, Gonen T
Nat Commun (2023) 14 pp. 1086-1086 [ DOI: doi:10.1038/s41467-023-36733-4 Pubmed: 36841804 ]
- Water (18 Da, Ligand)
- 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol (337 Da, Ligand)
- Adenosine receptor a2a,soluble cytochrome b562 (49 kDa, Protein from Homo sapiens)
- (2r)-2,3-dihydroxypropyl (9z)-octadec-9-enoate (356 Da, Ligand)
- Sodium ion (22 Da, Ligand)
- Oleic acid (282 Da, Ligand)
- Cholesterol (386 Da, Ligand)
- (2s)-2,3-dihydroxypropyl (9z)-octadec-9-enoate (356 Da, Ligand)
- A2a bril adenosine receptor (41 kDa, Complex from Homo sapiens)
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 8e4y
Q-score: 0.502
Johnson ZL, Ammirati M, Wasilko DJ, Chang JS, Noell S, Foley TL, Yoon H, Smith K, Asano S, Hales K, Wan M, Yang Q, Piotrowski MA, Farley KA, Gilbert T, Aschenbrenner LM, Fennell KF, Dutra JK, Xu M, Guo C, Varghese AE, Bellenger J, Quinn A, Am Ende CW, West GM, Griffor MC, Bennett D, Calabrese M, Steppan CM, Han S, Wu H
Nat Struct Mol Biol (2023) 30 pp. 22-30 [ Pubmed: 36522428 DOI: doi:10.1038/s41594-022-00884-7 ]
- [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxohexadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name) (1 kDa, Ligand)
- (2r)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate (410 Da, Ligand)
- Glycerol-3-phosphate acyltransferase 1, mitochondrial (86 kDa, Protein from Homo sapiens)
- Glycerol-3-phosphate acyltransferase 1 (86 kDa, Complex from Homo sapiens)
Resolution: 3.67 Å
EM Method: Single-particle
Fitted PDBs: 8e50
Q-score: 0.444
Johnson ZL, Ammirati M, Wasilko DJ, Chang JS, Noell S, Foley TL, Yoon H, Smith K, Asano S, Hales K, Wan M, Yang Q, Piotrowski MA, Farley KA, Gilbert T, Aschenbrenner LM, Fennell KF, Dutra JK, Xu M, Guo C, Varghese AE, Bellenger J, Quinn A, Am Ende CW, West GM, Griffor MC, Bennett D, Calabrese M, Steppan CM, Han S, Wu H
Nat Struct Mol Biol (2023) 30 pp. 22-30 [ Pubmed: 36522428 DOI: doi:10.1038/s41594-022-00884-7 ]
- Coenzyme a (767 Da, Ligand)
- (2r)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate (410 Da, Ligand)
- Glycerol-3-phosphate acyltransferase 1, mitochondrial (86 kDa, Protein from Homo sapiens)
- Glycerol-3-phosphate acyltransferase 1 (86 kDa, Complex from Homo sapiens)
Structure of hSLC19A1+3'3'-CDA
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 7xq0
Q-score: 0.558
Zhang Q, Zhang X, Zhu Y, Sun P, Zhang L, Ma J, Zhang Y, Zeng L, Nie X, Gao Y, Li Z, Liu S, Lou J, Gao A, Zhang L, Gao P
Nature (2022) 612 pp. 170-176 [ DOI: doi:10.1038/s41586-022-05452-z Pubmed: 36265513 ]
- Reduced folate transporter (60 kDa, Protein from Homo sapiens)
- (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9h-purin-9-yl)octahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide (658 Da, Ligand)
- Slc19a1+3'3'-cda (Complex from Homo sapiens)
neurotensin receptor and arrestin2 complex
Resolution: 4.2 Å
EM Method: Single-particle
Fitted PDBs: 6up7
Q-score: 0.406
Huang W, Masureel M, Qu Q, Janetzko J, Inoue A, Kato HE, Robertson MJ, Nguyen KC, Glenn JS, Skiniotis G, Kobilka BK
Nature (2020) 579 pp. 303-308 [ Pubmed: 31945771 DOI: doi:10.1038/s41586-020-1953-1 ]
- Arg-arg-pro-tyr-ile-leu (819 Da, Protein from Homo sapiens)
- Neurotensin receptor type 1 (37 kDa, Protein from Homo sapiens)
- Beta-arrestin-1 (39 kDa, Protein from Homo sapiens)
- Ntsr_arrestin (Complex from Homo sapiens)
- [(2r)-2-octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate (746 Da, Ligand)
- Unidentified peptide (783 Da, Protein from Homo sapiens)