Cryo-EM structure of the rat P2X7 receptor in complex with the allosteric antagonist A438079
Resolution: 2.18 Å
EM Method: Single-particle
Fitted PDBs: 8tr6
Q-score: 0.669
Oken AC, Ditter IA, Lisi NE, Krishnamurthy I, Godsey MH, Mansoor SE
Sci Adv (2024) 10 pp. eado5084-eado5084 [ DOI: doi:10.1126/sciadv.ado5084 Pubmed: 39365862 ]
- 3-{[(5r)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine (310 Da, Ligand)
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Water (18 Da, Ligand)
- Zinc ion (65 Da, Ligand)
- Membrane protein (Complex from Rattus)
- Sodium ion (22 Da, Ligand)
- Palmitic acid (256 Da, Ligand from Rattus)
- P2x purinoceptor 7 (68 kDa, Protein from Rattus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Cryo-EM structure of the rat P2X7 receptor in complex with the allosteric antagonist A839977
Resolution: 2.53 Å
EM Method: Single-particle
Fitted PDBs: 8tr7
Q-score: 0.619
Oken AC, Ditter IA, Lisi NE, Krishnamurthy I, Godsey MH, Mansoor SE
Sci Adv (2024) 10 pp. eado5084-eado5084 [ DOI: doi:10.1126/sciadv.ado5084 Pubmed: 39365862 ]
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Water (18 Da, Ligand)
- Zinc ion (65 Da, Ligand)
- Membrane protein (Complex from Rattus)
- Sodium ion (22 Da, Ligand from Rattus)
- Palmitic acid (256 Da, Ligand from Rattus)
- P2x purinoceptor 7 (68 kDa, Protein from Rattus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- (1p)-1-(2,3-dichlorophenyl)-n-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1h-tetrazol-5-amine (413 Da, Ligand)
Cryo-EM structure of the rat P2X7 receptor in complex with the allosteric antagonist AZD9056
Resolution: 2.21 Å
EM Method: Single-particle
Fitted PDBs: 8tr8
Q-score: 0.66
Oken AC, Ditter IA, Lisi NE, Krishnamurthy I, Godsey MH, Mansoor SE
Sci Adv (2024) 10 pp. eado5084-eado5084 [ DOI: doi:10.1126/sciadv.ado5084 Pubmed: 39365862 ]
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Water (18 Da, Ligand)
- Zinc ion (65 Da, Ligand)
- N-{[(3s,5s,7s)-adamantan-1-yl]methyl}-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide (419 Da, Ligand)
- Membrane protein (Complex from Rattus)
- Sodium ion (22 Da, Ligand)
- Palmitic acid (256 Da, Ligand from Rattus)
- P2x purinoceptor 7 (68 kDa, Protein from Rattus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Cryo-EM structure of the rat P2X7 receptor in complex with the allosteric antagonist GSK1482160
Resolution: 2.41 Å
EM Method: Single-particle
Fitted PDBs: 8tra
Q-score: 0.632
Oken AC, Ditter IA, Lisi NE, Krishnamurthy I, Godsey MH, Mansoor SE
Sci Adv (2024) 10 pp. eado5084-eado5084 [ DOI: doi:10.1126/sciadv.ado5084 Pubmed: 39365862 ]
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Water (18 Da, Ligand)
- P2x purinoceptor 7 (68 kDa, Protein from Rattus)
- Zinc ion (65 Da, Ligand)
- Membrane protein (Complex from Rattus)
- Sodium ion (22 Da, Ligand)
- Palmitic acid (256 Da, Ligand from Rattus)
- N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-l-prolinamide (334 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Cryo-EM structure of the rat P2X7 receptor in complex with the allosteric antagonist JNJ47965567
Resolution: 2.36 Å
EM Method: Single-particle
Fitted PDBs: 8trb
Q-score: 0.641
Oken AC, Ditter IA, Lisi NE, Krishnamurthy I, Godsey MH, Mansoor SE
Sci Adv (2024) 10 pp. eado5084-eado5084 [ DOI: doi:10.1126/sciadv.ado5084 Pubmed: 39365862 ]
- N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide (488 Da, Ligand)
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Water (18 Da, Ligand)
- Zinc ion (65 Da, Ligand)
- Membrane protein (Complex from Rattus)
- Sodium ion (22 Da, Ligand)
- Palmitic acid (256 Da, Ligand from Rattus)
- P2x purinoceptor 7 (68 kDa, Protein from Rattus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Cryo-EM structure of the rat P2X7 receptor in complex with the allosteric antagonist methyl blue
Resolution: 2.69 Å
EM Method: Single-particle
Fitted PDBs: 8trk
Q-score: 0.573
Oken AC, Ditter IA, Lisi NE, Krishnamurthy I, Godsey MH, Mansoor SE
Sci Adv (2024) 10 pp. eado5084-eado5084 [ DOI: doi:10.1126/sciadv.ado5084 Pubmed: 39365862 ]
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Water (18 Da, Ligand)
- 4,4',4''-[methanetriyltris(4,1-phenyleneazanediyl)]tri(benzene-1-sulfonic acid) (757 Da, Ligand)
- Zinc ion (65 Da, Ligand)
- Membrane protein (Complex from Rattus)
- Palmitic acid (256 Da, Ligand from Rattus)
- P2x purinoceptor 7 (68 kDa, Protein from Rattus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Cryo-EM structure of the human P2X1 receptor in the apo closed state
Resolution: 2.74 Å
EM Method: Single-particle
Fitted PDBs: 9c2a
Q-score: 0.536
Oken AC, Lisi NE, Ditter IA, Shi H, Nechiporuk NA, Mansoor SE
Nat Commun (2024) 15 pp. 8490-8490 [ DOI: doi:10.1038/s41467-024-52636-4 Pubmed: 39353889 ]
- Water (18 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Membrane protein (Complex from Homo sapiens)
- P2x purinoceptor 1 (45 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Cryo-EM structure of the human P2X1 receptor in the ATP-bound desensitized state
Resolution: 2.42 Å
EM Method: Single-particle
Fitted PDBs: 9c2b
Q-score: 0.637
Oken AC, Lisi NE, Ditter IA, Shi H, Nechiporuk NA, Mansoor SE
Nat Commun (2024) 15 pp. 8490-8490 [ DOI: doi:10.1038/s41467-024-52636-4 Pubmed: 39353889 ]
- Magnesium ion (24 Da, Ligand)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Water (18 Da, Ligand)
- Membrane protein (Complex from Homo sapiens)
- P2x purinoceptor 1 (45 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Cryo-EM structure of the human P2X1 receptor in the NF449-bound inhibited state
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 9c2c
Q-score: 0.491
Oken AC, Lisi NE, Ditter IA, Shi H, Nechiporuk NA, Mansoor SE
Nat Commun (2024) 15 pp. 8490-8490 [ DOI: doi:10.1038/s41467-024-52636-4 Pubmed: 39353889 ]
- Membrane protein (Complex from Homo sapiens)
- P2x purinoceptor 1 (45 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 4,4',4'',4'''-{carbonylbis[azanediylbenzene-5,1,3-triylbis(carbonylazanediyl)]}tetra(benzene-1,3-disulfonic acid) (1 kDa, Ligand)
Cryo-EM structure of the rat P2X7 receptor in the apo closed state
Oken AC, Lisi NE, Krishnamurthy I, McCarthy AE, Godsey MH, Glasfeld A, Mansoor SE
Nat Commun (2024) 15 pp. 6662-6662 [ DOI: doi:10.1038/s41467-024-50771-6 Pubmed: 39107314 ]
- Guanosine-5'-diphosphate (443 Da, Ligand)
- Water (18 Da, Ligand)
- Zinc ion (65 Da, Ligand)
- Membrane protein (Complex from Rattus)
- Sodium ion (22 Da, Ligand)
- Palmitic acid (256 Da, Ligand from Rattus)
- P2x purinoceptor 7 (68 kDa, Protein from Rattus)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)