Molecular mechanism of the the wake-promoting agent TAK-925
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 7sr8
Q-score: 0.457
Yin J, Kang Y, McGrath AP, Chapman K, Sjodt M, Kimura E, Okabe A, Koike T, Miyanohana Y, Shimizu Y, Rallabandi R, Lian P, Bai X, Flinspach M, De Brabander JK, Rosenbaum DM
Nat Commun (2022) 13 pp. 2902-2902 [ Pubmed: 35614071 DOI: doi:10.1038/s41467-022-30601-3 ]
- A modified guanine nucleotide-binding protein g(q) subunit alpha (27 kDa, Protein from Homo sapiens)
- Scfv16 (27 kDa, Protein from Homo sapiens)
- Oleic acid (282 Da, Ligand)
- Human orexin receptor 2 - g protein complex (Complex from Homo sapiens)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Hypocretin receptor type 2 (46 kDa, Protein from Homo sapiens)
- Methyl (2r,3s)-3-[(methanesulfonyl)amino]-2-({[(1s,4s)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate (424 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (9 kDa, Protein from Homo sapiens)
Structure of the orexin-2 receptor (OX2R) bound to TAK-925, Gi and scFv16
Resolution: 3.17 Å
EM Method: Single-particle
Fitted PDBs: 7sqo
Q-score: 0.487
Yin J, Kang Y, McGrath AP, Chapman K, Sjodt M, Kimura E, Okabe A, Koike T, Miyanohana Y, Shimizu Y, Rallabandi R, Lian P, Bai X, Flinspach M, De Brabander JK, Rosenbaum DM
Nat Commun (2022) 13 pp. 2902-2902 [ Pubmed: 35614071 DOI: doi:10.1038/s41467-022-30601-3 ]
- Orexin receptor type 2 (Complex from Homo sapiens)
- Human ox2r in complex with gai/gb/gg-scfv16. (Complex)
- Guanine nucleotide-binding protein g(i) subunit alpha-1 (40 kDa, Protein from Homo sapiens)
- Oleic acid (282 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (39 kDa, Protein from Bos taurus)
- Scfv-16 (26 kDa, Protein from synthetic construct)
- Guanine nucleotide-binding protein g(i) subunit alpha-1 (Complex from Homo sapiens)
- Methyl (2r,3s)-3-[(methanesulfonyl)amino]-2-({[(1s,4s)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate (424 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Bos taurus)
- Orexin receptor type 2 (50 kDa, Protein from Homo sapiens)
- Scfv-16 (Complex from synthetic construct)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1, guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (Complex from Bos taurus)
Structure of Mammalian NALCN-FAM155A-UNC79-UNC80 quanternary complex
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 7w7g
Q-score: 0.42
Nat Commun (2022) 13 pp. 2639-2639 [ Pubmed: 35550517 DOI: doi:10.1038/s41467-022-30403-7 ]
- Sodium leak channel non-selective protein (200 kDa, Protein from Rattus norvegicus)
- Protein unc-80 homolog (371 kDa, Protein from Mus musculus)
- Zinc ion (65 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Protein unc-79 homolog (297 kDa, Protein from Mus musculus)
- Nalcn-fam155a-unc79-unc80 complex (Complex from Mus musculus)
- Transmembrane protein fam155a (52 kDa, Protein from Mus musculus)
Structure of huamn soluble guanylate cyclase in the riociguat and NO-bound state
Resolution: 3.7 Å
EM Method: Single-particle
Fitted PDBs: 7d9r
Q-score: 0.458
Nat Commun (2021) 12 pp. 5492-5492 [ DOI: doi:10.1038/s41467-021-25617-0 Pubmed: 34535643 ]
- Phosphomethylphosphonic acid guanylate ester (521 Da, Ligand)
- Guanylate cyclase soluble subunit alpha-1 (77 kDa, Protein from Homo sapiens)
- Human soluble guanylate cyclase (Complex from Homo sapiens)
- Methyl ~{n}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{n}-methyl-carbamate (422 Da, Ligand)
- Protoporphyrin ix containing fe (616 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Guanylate cyclase soluble subunit beta-1 (70 kDa, Protein from Homo sapiens)
Structure of huamn soluble guanylate cyclase in the YC1 and NO-bound state
Resolution: 3.9 Å
EM Method: Single-particle
Fitted PDBs: 7d9s
Q-score: 0.452
Nat Commun (2021) 12 pp. 5492-5492 [ DOI: doi:10.1038/s41467-021-25617-0 Pubmed: 34535643 ]
- [5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol (304 Da, Ligand)
- Guanylate cyclase soluble subunit alpha-1 (77 kDa, Protein from Homo sapiens)
- Human soluble guanylate cyclase (Complex from Homo sapiens)
- Phosphomethylphosphonic acid guanylate ester (521 Da, Ligand)
- Protoporphyrin ix containing fe (616 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Guanylate cyclase soluble subunit beta-1 (70 kDa, Protein from Homo sapiens)
Structure of human soluble guanylate cyclase in the cinciguat-bound inactive state
Resolution: 4.1 Å
EM Method: Single-particle
Fitted PDBs: 7d9t
Q-score: 0.417
Nat Commun (2021) 12 pp. 5492-5492 [ DOI: doi:10.1038/s41467-021-25617-0 Pubmed: 34535643 ]
- 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid (565 Da, Ligand)
- Guanylate cyclase soluble subunit alpha-1 (77 kDa, Protein from Homo sapiens)
- Human soluble guanylate cyclase (Complex from Homo sapiens)
- Guanylate cyclase soluble subunit beta-1 (70 kDa, Protein from Homo sapiens)
Structure of human soluble guanylate cyclase in the cinciguat-bound activated state
Resolution: 3.8 Å
EM Method: Single-particle
Fitted PDBs: 7d9u
Q-score: 0.445
Nat Commun (2021) 12 pp. 5492-5492 [ DOI: doi:10.1038/s41467-021-25617-0 Pubmed: 34535643 ]
- Phosphomethylphosphonic acid guanylate ester (521 Da, Ligand)
- Guanylate cyclase soluble subunit alpha-1 (77 kDa, Protein from Homo sapiens)
- Human soluble guanylate cyclase (Complex from Homo sapiens)
- 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid (565 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Guanylate cyclase soluble subunit beta-1 (70 kDa, Protein from Homo sapiens)
Structure of mammalian NALCN-FAM155A complex at 2.65 angstrom
Resolution: 2.65 Å
EM Method: Single-particle
Fitted PDBs: 7cu3
Q-score: 0.618
Nat Commun (2020) 11 pp. 6199-6199 [ Pubmed: 33273469 DOI: doi:10.1038/s41467-020-20002-9 ]
- Sodium leak channel non-selective protein (200 kDa, Protein from Rattus norvegicus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Nalcn-fam155a complex (Complex from Homo sapiens)
- Cholesterol (386 Da, Ligand)
- [(2~{r})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{z})-octadec-9-enoate (717 Da, Ligand)
- Transmembrane protein fam155a (52 kDa, Protein from Mus musculus)
CryoEM structure of Abo1 hexamer - ADP complex
Resolution: 4.44 Å
EM Method: Single-particle
Fitted PDBs: 6jpq
Q-score: 0.188
Cho C, Jang J, Kang Y, Watanabe H, Uchihashi T, Kim SJ, Kato K, Lee JY, Song JJ
Nat Commun (2019) 10 pp. 5764-5764 [ DOI: doi:10.1038/s41467-019-13743-9 Pubmed: 31848341 ]