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)
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- Vsd4-nav1.7-navpas channel chimera bound to the hybrid inhibitor gne-1305 (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)
- Cholesterol hemisuccinate (486 Da, Ligand)
- N-[6-(cyclopentylmethoxy)-1,3-benzothiazol-2-yl]-4-{[(1s,2s)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonamide (546 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 ]
- 5-cyclopropyl-4-({1-[(1s)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-n-(methanesulfonyl)benzamide (543 Da, Ligand)
- Water (18 Da, Ligand)
- Beta-d-mannopyranose (180 Da, Ligand)
- 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)
- Structure of vsd4-nav1.7-navpas channel chimera bound to the acylsulfonamide inhibitor gdc-0310 (Complex from Homo sapiens)
- Cholesterol hemisuccinate (486 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 ]
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 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)
- 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 arylsulfonamide inhibitor gne-3565 (Complex from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Cholesterol hemisuccinate (486 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 ]
- 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (744 Da, Ligand)
- Beta-diguetoxin-dc1a (8 kDa, Protein from Diguetia canities)
- 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)
- 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)
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 ]
- Trpa1 bound by inhibitor gdc-0334 (Complex 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)
- Transient receptor potential cation channel subfamily a member 1 (72 kDa, Protein from Homo sapiens)
Cryo-EM structure of a human-cockroach hybrid Nav channel bound to alpha-scorpion toxin AaH2.
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 6nt4
Q-score: 0.444
Clairfeuille T, Cloake A, Infield DT, Llongueras JP, Arthur CP, Li ZR, Jian Y, Martin-Eauclaire MF, Bougis PE, Ciferri C, Ahern CA, Bosmans F, Hackos DH, Rohou A, Payandeh J
Science (2019) 363 [ Pubmed: 30733386 DOI: doi:10.1126/science.aav8573 ]
- (7e,21r,24s)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9z,12e)-octadeca-9,12-dienoate (742 Da, Ligand)
- Sodium channel protein pafpc1,sodium channel protein type 9 subunit alpha,sodium channel protein pafpc1 (178 kDa, Protein from Periplaneta americana)
- Digitonin (1 kDa, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- 1,2-dipalmitoyl-phosphatidyl-glycerole (722 Da, Ligand)
- Cholesterol hemisuccinate (486 Da, Ligand)
- Navpas-vsd4-aah2 (155 kDa, Complex from Periplaneta americana)
- Alpha-mammal toxin aah2 (7 kDa, Protein from Androctonus australis)
CryoEM structure of Nav1.7 VSD2 (actived state) in complex with the gating modifier toxin ProTx2
Resolution: 3.6 Å
EM Method: Single-particle
Fitted PDBs: 6n4q
Q-score: 0.343
Xu H, Li T, Rohou A, Arthur CP, Tzakoniati F, Wong E, Estevez A, Kugel C, Franke Y, Chen J, Ciferri C, Hackos DH, Koth CM, Payandeh J
Cell (2019) 176 pp. 702- [ Pubmed: 30661758 DOI: doi:10.1016/j.cell.2018.12.018 ]
- Fab heavy chain (24 kDa, Protein from Mus musculus)
- Nav1.7 vsd2 in complex with protx2 and an anti-nav fab (245 kDa, Complex from Homo sapiens)
- Beta/omega-theraphotoxin-tp2a (3 kDa, Protein from Thrixopelma pruriens)
- Nav1.7 vsd2-navab chimera (33 kDa, Protein from Arcobacter butzleri (strain RM4018))
- Fab light chain (23 kDa, Protein from Mus musculus)
CryoEM structure of Nav1.7 VSD2 (deactived state) in complex with the gating modifier toxin ProTx2
Resolution: 4.2 Å
EM Method: Single-particle
Fitted PDBs: 6n4r
Q-score: 0.345
Xu H, Li T, Rohou A, Arthur CP, Tzakoniati F, Wong E, Estevez A, Kugel C, Franke Y, Chen J, Ciferri C, Hackos DH, Koth CM, Payandeh J
Cell (2019) 176 pp. 702- [ DOI: doi:10.1016/j.cell.2018.12.018 Pubmed: 30661758 ]
- Beta/omega-theraphotoxin-tp2a (3 kDa, Protein from Thrixopelma pruriens)
- Nav1.7 vsd2 in complex with protx2 and an anti-nav fab (245 kDa, Complex from Homo sapiens)
- Fab heavy chain (24 kDa, Protein from Mus musculus)
- Nav1.7 vsd2-navab chimera (33 kDa, Protein from Arcobacter butzleri (strain RM4018))
- Fab light chain (23 kDa, Protein from Mus musculus)