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)
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 7sjo
Q-score: 0.405
Gerhardy S, Ultsch M, Tang W, Green E, Holden JK, Li W, Estevez A, Arthur C, Tom I, Rohou A, Kirchhofer D
Nat Commun (2022) 13 pp. 5222-5222 [ DOI: doi:10.1038/s41467-022-32760-9 Pubmed: 36064790 ]
- Serine protease htra1 (25 kDa, Protein from Homo sapiens)
- Fab15h6.v4 heavy chain (26 kDa, Protein from Homo sapiens)
- Fab15h6.v4 light chain (25 kDa, Protein from Homo sapiens)
- Htra1pd/sa bound by fab15h6.v4 at loopa epitope (220 kDa, Complex from Homo sapiens)
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 7t4r
Q-score: 0.429
Kschonsak M, Johnson MC, Schelling R, Green EM, Rouge L, Ho H, Patel N, Kilic C, Kraft E, Arthur CP, Rohou AL, Comps-Agrar L, Martinez-Martin N, Perez L, Payandeh J, Ciferri C
Sci Adv (2022) 8 pp. eabm2536-eabm2536 [ Pubmed: 35275719 DOI: doi:10.1126/sciadv.abm2536 ]
- Envelope glycoprotein ul130 (28 kDa, Protein from Human betaherpesvirus 5)
- Envelope glycoprotein l (30 kDa, Protein from Human betaherpesvirus 5)
- Envelope glycoprotein h (87 kDa, Protein from Human betaherpesvirus 5)
- Fab 13h11 heavy chain (26 kDa, Protein from Homo sapiens)
- Fab msl-109 light chain (28 kDa, Protein from Homo sapiens)
- Complex of 2x hcmv pentamer gh, gl, ul128, ul130, ul131a bound to 1x thbd and 2x fabs of human neutralizing antibodies msl-109 and 13h11 (590 kDa, Complex)
- Envelope protein ul131a (15 kDa, Protein from Human betaherpesvirus 5)
- Fab 13h11 light chain (25 kDa, Protein from Homo sapiens)
- Envelope protein ul128 (19 kDa, Protein from Human betaherpesvirus 5)
- Thrombomodulin (55 kDa, Protein from Homo sapiens)
- Fab msl-109 heavy chain (27 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 7t4s
Q-score: 0.57
Kschonsak M, Johnson MC, Schelling R, Green EM, Rouge L, Ho H, Patel N, Kilic C, Kraft E, Arthur CP, Rohou AL, Comps-Agrar L, Martinez-Martin N, Perez L, Payandeh J, Ciferri C
Sci Adv (2022) 8 pp. eabm2536-eabm2536 [ Pubmed: 35275719 DOI: doi:10.1126/sciadv.abm2536 ]
- Envelope glycoprotein ul130 (28 kDa, Protein from Human betaherpesvirus 5)
- Envelope glycoprotein l (30 kDa, Protein from Human betaherpesvirus 5)
- Envelope glycoprotein h (87 kDa, Protein from Human betaherpesvirus 5)
- Fab 13h11 heavy chain (26 kDa, Protein from Homo sapiens)
- Envelope protein ul131a (15 kDa, Protein from Human betaherpesvirus 5)
- Fab 8i21 heavy chain (26 kDa, Protein from Homo sapiens)
- Neuropilin-2 (98 kDa, Protein from Homo sapiens)
- Fab 8i21 light chain (25 kDa, Protein from Homo sapiens)
- Fab 13h11 light chain (25 kDa, Protein from Homo sapiens)
- Envelope protein ul128 (19 kDa, Protein from Human betaherpesvirus 5)
- Pentameric complex of hcmv proteins gh, gl, ul128, ul130, ul131a bound to neuropilin 2 and fabs of human neutralizing antibodies 8i21 and 13h11 (360 kDa, Complex)
- Calcium ion (40 Da, Ligand)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
Kschonsak M, Johnson MC, Schelling R, Green EM, Rouge L, Ho H, Patel N, Kilic C, Kraft E, Arthur CP, Rohou AL, Comps-Agrar L, Martinez-Martin N, Perez L, Payandeh J, Ciferri C
Sci Adv (2022) 8 pp. eabm2536-eabm2536 [ Pubmed: 35275719 DOI: doi:10.1126/sciadv.abm2536 ]
- Hcmv envelope glycoprotein ul131a (Protein from Human betaherpesvirus 5)
- Hcmv envelope glycoprotein l (Protein from Human betaherpesvirus 5)
- Neuropilin-2 (Protein from Homo sapiens)
- Fab 8i21 heavy chain (Protein from Homo sapiens)
- Fab 13h11 light chain (Protein from Homo sapiens)
- Hcmv envelope glycoprotein ul128 (Protein from Human betaherpesvirus 5)
- Fab 8i21 light chain (Protein from Homo sapiens)
- Hcmv envelope glycoprotein h (Protein from Human betaherpesvirus 5)
- Complex of 2x hcmv pentamer proteins gh, gl, ul128, ul130, ul131a bound to neuropilin 2 and 2x fabs of human neutralizing antibodies 8i21 and 13h11 (720 kDa, Complex)
- Fab 13h11 heavy chain (Protein from Homo sapiens)
- Hcmv envelope glycoprotein ul130 (Protein from Human betaherpesvirus 5)
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)
Structure of human TRPA1 in complex with agonist GNE551
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 6x2j
Q-score: 0.509
Liu C, Reese R, Vu S, Rouge L, Shields SD, Kakiuchi-Kiyota S, Chen H, Johnson K, Shi YP, Chernov-Rogan T, Greiner DMZ, Kohli PB, Hackos D, Brillantes B, Tam C, Li T, Wang J, Safina B, Magnuson S, Volgraf M, Payandeh J, Zheng J, Rohou A, Chen J
Neuron (2021) 109 pp. 273-284.e4 [ Pubmed: 33152265 DOI: doi:10.1016/j.neuron.2020.10.014 ]
Structure of CD20 in complex with rituximab Fab
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 6vja
Q-score: 0.456
Rouge L, Chiang N, Steffek M, Kugel C, Croll TI, Tam C, Estevez A, Arthur CP, Koth CM, Ciferri C, Kraft E, Payandeh J, Nakamura G, Koerber JT, Rohou A
Science (2020) 367 pp. 1224-1230 [ DOI: doi:10.1126/science.aaz9356 Pubmed: 32079680 ]
- Rituximab fab light chain (23 kDa, Protein from Homo sapiens)
- Cd20 in complex with rituximab fab (135 kDa, Complex from Homo sapiens)
- Cholesterol hemisuccinate (486 Da, Ligand)
- B-lymphocyte antigen cd20 (31 kDa, Protein from Homo sapiens)
- Rituximab fab heavy chain (23 kDa, Protein from Homo sapiens)
Cryo-EM structure of a human-cockroach hybrid Nav channel.
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 6nt3
Q-score: 0.468
Clairfeuille T, Rohou A, Payandeh J
Science (2019) [ ]
- Navpas-vsd4 (155 kDa, Complex from Periplaneta americana)
- Cholesterol hemisuccinate (486 Da, Ligand)
- 1,2-dipalmitoyl-phosphatidyl-glycerole (722 Da, Ligand)
- Digitonin (1 kDa, Ligand)
- Sodium channel protein type 9 subunit alpha, sodium channel protein pafpc1, chimeric construct (178 kDa, Protein from Periplaneta americana)
- (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)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)