Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305
Resolution: 2.2 Å
EM Method: Single-particle
Fitted PDBs: 8f0p
Q-score: 0.776
Kschonsak M, Jao CC, Arthur CP, Rohou AL, Bergeron P, Ortwine DF, McKerrall SJ, Hackos DH, Deng L, Chen J, Li T, Dragovich PS, Volgraf M, Wright MR, Payandeh J, Ciferri C, Tellis JC
eLife (2023) 12 [ DOI: doi:10.7554/eLife.84151 Pubmed: 36975198 ]
- Water (18 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- N-[6-(cyclopentylmethoxy)-1,3-benzothiazol-2-yl]-4-{[(1s,2s)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonamide (546 Da, Ligand)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- Vsd4-nav1.7-navpas channel chimera bound to the hybrid inhibitor gne-1305 (Complex from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the acylsulfonamide inhibitor GDC-0310
Resolution: 2.5 Å
EM Method: Single-particle
Fitted PDBs: 8f0q
Q-score: 0.739
Kschonsak M, Jao CC, Arthur CP, Rohou AL, Bergeron P, Ortwine DF, McKerrall SJ, Hackos DH, Deng L, Chen J, Li T, Dragovich PS, Volgraf M, Wright MR, Payandeh J, Ciferri C, Tellis JC
eLife (2023) 12 [ DOI: doi:10.7554/eLife.84151 Pubmed: 36975198 ]
- Water (18 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- Structure of vsd4-nav1.7-navpas channel chimera bound to the acylsulfonamide inhibitor gdc-0310 (Complex from Homo sapiens)
- 5-cyclopropyl-4-({1-[(1s)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-n-(methanesulfonyl)benzamide (543 Da, Ligand)
- Beta-d-mannopyranose (180 Da, Ligand)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the arylsulfonamide inhibitor GNE-3565
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8f0r
Q-score: 0.556
Kschonsak M, Jao CC, Arthur CP, Rohou AL, Bergeron P, Ortwine DF, McKerrall SJ, Hackos DH, Deng L, Chen J, Li T, Dragovich PS, Volgraf M, Wright MR, Payandeh J, Ciferri C, Tellis JC
eLife (2023) 12 [ DOI: doi:10.7554/eLife.84151 Pubmed: 36975198 ]
- Cholesterol hemisuccinate (486 Da, Ligand)
- 5-chloro-4-({(1s,2s,4s)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-n-(pyrimidin-4-yl)benzene-1-sulfonamide (572 Da, Ligand)
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- Vsd4-nav1.7-navpas channel chimera bound to the arylsulfonamide inhibitor gne-3565 (Complex from Homo sapiens)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8f0s
Q-score: 0.614
Kschonsak M, Jao CC, Arthur CP, Rohou AL, Bergeron P, Ortwine DF, McKerrall SJ, Hackos DH, Deng L, Chen J, Li T, Dragovich PS, Volgraf M, Wright MR, Payandeh J, Ciferri C, Tellis JC
eLife (2023) 12 [ DOI: doi:10.7554/eLife.84151 Pubmed: 36975198 ]
- 5-chloro-4-(cyclopentylmethoxy)-n-(4-{[(1s,2s)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonyl)-2-fluorobenzamide (570 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Vsd4-nav1.7-navpas channel chimera bound to the hybrid inhibitor gne-9296 (Complex from Homo sapiens)
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha chimera (184 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Beta-diguetoxin-dc1a (8 kDa, Protein from Diguetia canities)
Structure of human TRPA1 in complex with antagonist compound 21
Resolution: 3.05 Å
EM Method: Single-particle
Fitted PDBs: 7jup
Q-score: 0.522
Terrett JA, Chen H, Shore DG, Villemure E, Larouche-Gauthier R, Dery M, Beaumier F, Constantineau-Forget L, Grand-Maitre C, Lepissier L, Ciblat S, Sturino C, Chen Y, Hu B, Lu A, Wang Y, Cridland AP, Ward SI, Hackos DH, Reese RM, Shields SD, Chen J, Balestrini A, Riol-Blanco L, Lee WP, Liu J, Suto E, Wu X, Zhang J, Ly JQ, La H, Johnson K, Baumgardner M, Chou KJ, Rohou A, Rouge L, Safina BS, Magnuson S, Volgraf M
J Med Chem (2021) 64 pp. 3843-3869 [ Pubmed: 33749283 DOI: doi:10.1021/acs.jmedchem.0c02023 ]
Structure of human TRPA1 in complex with inhibitor GDC-0334
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 6wj5
Q-score: 0.471
Balestrini A, Joseph V, Dourado M, Reese RM, Shields SD, Rouge L, Bravo DD, Chernov-Rogan T, Austin CD, Chen H, Wang L, Villemure E, Shore DGM, Verma VA, Hu B, Chen Y, Leong L, Bjornson C, Hotzel K, Gogineni A, Lee WP, Suto E, Wu X, Liu J, Zhang J, Gandham V, Wang J, Payandeh J, Ciferri C, Estevez A, Arthur CP, Kortmann J, Wong RL, Heredia JE, Doerr J, Jung M, Vander Heiden JA, Roose-Girma M, Tam L, Barck KH, Carano RAD, Ding HT, Brillantes B, Tam C, Yang X, Gao SS, Ly JQ, Liu L, Chen L, Liederer BM, Lin JH, Magnuson S, Chen J, Hackos DH, Elstrott J, Rohou A, Safina BS, Volgraf M, Bauer RN, Riol-Blanco L
J Exp Med (2021) 218 [ DOI: doi:10.1084/jem.20201637 Pubmed: 33620419 ]
- Transient receptor potential cation channel subfamily a member 1 (72 kDa, Protein from Homo sapiens)
- (4r,5s)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-n-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-l-prolinamide (609 Da, Ligand)
- Trpa1 bound by inhibitor gdc-0334 (Complex from Homo sapiens)