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 TRPC3 at 2.7 angstrom in high calcium state
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 7dxb
Q-score: 0.56
Guo W, Tang Q, Wei M, Kang Y, Wu JX, Chen L
Neuron (2022) 110 pp. 1023-1035.e5 [ DOI: doi:10.1016/j.neuron.2021.12.023 Pubmed: 35051376 ]
- Short transient receptor potential channel 3 (96 kDa, Protein from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- [(2s)-2-[(e)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate (620 Da, Ligand)
- Human transient receptor potential channel 3 tetramer (Complex from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
Structure of TRPC3 at 3.06 angstrom in low calcium state
Resolution: 3.06 Å
EM Method: Single-particle
Fitted PDBs: 7dxc
Q-score: 0.454
Guo W, Tang Q, Wei M, Kang Y, Wu JX, Chen L
Neuron (2022) 110 pp. 1023-1035.e5 [ DOI: doi:10.1016/j.neuron.2021.12.023 Pubmed: 35051376 ]
- Short transient receptor potential channel 3 (96 kDa, Protein from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- [(2s)-2-[(e)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate (620 Da, Ligand)
- Human transient receptor potential channel 3 tetramer (Complex from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
Structure of TRPC3 gain of function mutation R803C at 3.2 angstrom in 1340nM free calcium state
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 7dxe
Q-score: 0.51
Guo W, Tang Q, Wei M, Kang Y, Wu JX, Chen L
Neuron (2022) 110 pp. 1023-1035.e5 [ DOI: doi:10.1016/j.neuron.2021.12.023 Pubmed: 35051376 ]
- Short transient receptor potential channel 3 (96 kDa, Protein from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- [(2s)-2-[(e)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate (620 Da, Ligand)
- Human transient receptor potential channel 3 tetramer (Complex from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
Structure of BTDM-bound human TRPC6 nanodisc at 2.9 angstrom in high calcium state
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 7dxf
Q-score: 0.515
Guo W, Tang Q, Wei M, Kang Y, Wu JX, Chen L
Neuron (2022) 110 pp. 1023-1035.e5 [ DOI: doi:10.1016/j.neuron.2021.12.023 Pubmed: 35051376 ]
- [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3r,5s)-3,5-dimethylpiperidin-1-yl]methanone (359 Da, Ligand)
- Zinc ion (65 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- [(2s)-2-[(e)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate (620 Da, Ligand)
- Short transient receptor potential channel 6 (106 kDa, Protein from Homo sapiens)
- Human transient receptor potential channel 6 tetramer (Complex from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
Structure of SAR7334-bound TRPC6 at 2.9 angstrom
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 7dxg
Q-score: 0.551
Guo W, Tang Q, Wei M, Kang Y, Wu JX, Chen L
Neuron (2022) 110 pp. 1023-1035.e5 [ DOI: doi:10.1016/j.neuron.2021.12.023 Pubmed: 35051376 ]
- Zinc ion (65 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- [(2s)-2-[(e)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate (620 Da, Ligand)
- Short transient receptor potential channel 6 (106 kDa, Protein from Homo sapiens)
- Human transient receptor potential channel 6 tetramer (Complex from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- 4-[[(1r,2r)-2-[(3r)-3-azanylpiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile (367 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
Structure of TRPC3 at 3.9 angstrom in 1340 nM free calcium state
Resolution: 3.9 Å
EM Method: Single-particle
Fitted PDBs: 7dxd
Q-score: 0.383
Guo W, Tang Q, Wei M, Kang Y, Wu JX, Chen L
Neuron (2022) 110 pp. 1023-1035.e5 [ DOI: doi:10.1016/j.neuron.2021.12.023 Pubmed: 35051376 ]
- Short transient receptor potential channel 3 (96 kDa, Protein from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- Calcium ion (40 Da, Ligand)
- Human transient receptor potential channel 3 tetramer (Complex from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
Structure of human TRPC5 in complex with clemizole
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 7d4p
Q-score: 0.563
Song K, Wei M, Guo W, Quan L, Kang Y, Wu JX, Chen L
eLife (2021) 10 [ Pubmed: 33683200 DOI: doi:10.7554/eLife.63429 ]
- Zinc ion (65 Da, Ligand)
- Human transient receptor potential channel 5 tetramer (Complex from Homo sapiens)
- Calcium ion (40 Da, Ligand)
- (2s)-2-(hexadecanoyloxy)-3-hydroxypropyl (9z)-octadec-9-enoate (594 Da, Ligand)
- Phosphatidylethanolamine (734 Da, Ligand)
- 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole (325 Da, Ligand)
- Short transient receptor potential channel 5 (88 kDa, Protein from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
Structure of human TRPC5 in complex with HC-070
Resolution: 2.74 Å
EM Method: Single-particle
Fitted PDBs: 7d4q
Q-score: 0.581
Song K, Wei M, Guo W, Quan L, Kang Y, Wu JX, Chen L
eLife (2021) 10 [ Pubmed: 33683200 DOI: doi:10.7554/eLife.63429 ]
- Zinc ion (65 Da, Ligand)
- Human transient receptor potential channel 5 tetramer (Complex from Homo sapiens)
- Calcium ion (40 Da, Ligand)
- 8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione (475 Da, Ligand)
- Phosphatidylethanolamine (734 Da, Ligand)
- Short transient receptor potential channel 5 (88 kDa, Protein from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)