hPAD4 bound to Activating Fab hA362
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 8smk
Q-score: 0.419
Zhou X, Kong S, Maker A, Remesh SG, Leung KK, Verba KA, Wells JA
Nat Chem Biol (2024) 20 pp. 742-750 [ Pubmed: 38308046 DOI: doi:10.1038/s41589-023-01535-8 ]
- Activating fab 362 light chain (23 kDa, Protein from Homo sapiens)
- Activating fab 362 heavy chain (24 kDa, Protein from Homo sapiens)
- Protein-arginine deiminase type-4 (77 kDa, Protein from Homo sapiens)
- Calcium ion (40 Da, Ligand)
- Hpad4 bound to activating fab ha362 (248 kDa, Complex from Homo sapiens)
hPAD4 bound to inhibitory Fab hI365
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 8sml
Q-score: 0.399
Zhou X, Kong S, Maker A, Remesh SG, Leung KK, Verba KA, Wells JA
Nat Chem Biol (2024) 20 pp. 742-750 [ Pubmed: 38308046 DOI: doi:10.1038/s41589-023-01535-8 ]
- Protein-arginine deiminase type-4 (77 kDa, Protein from Homo sapiens)
- Hpad4 bound to inhibitory fab hi365 (248 kDa, Complex from Homo sapiens)
- Calcium ion (40 Da, Ligand)
- Fab hi365 heavy chain (24 kDa, Protein from Homo sapiens)
- Fab hi365 light chain (23 kDa, Protein from Homo sapiens)
CryoEM Structure of NLRP3 NACHT domain in complex with G2394
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 8etr
Q-score: 0.488
McBride C, Trzoss L, Povero D, Lazic M, Ambrus-Aikelin G, Santini A, Pranadinata R, Bain G, Stansfield R, Stafford JA, Veal J, Takahashi R, Ly J, Chen S, Liu L, Nespi M, Blake R, Katewa A, Kleinheinz T, Sujatha-Bhaskar S, Ramamoorthi N, Sims J, McKenzie B, Chen M, Ultsch M, Johnson M, Murray J, Ciferri C, Staben ST, Townsend MJ, Stivala CE
J Med Chem (2022) 65 pp. 14721-14739 [ DOI: doi:10.1021/acs.jmedchem.2c01250 Pubmed: 36279149 ]
- Nacht, lrr and pyd domains-containing protein 3 (63 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- (6s,8r)-n-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5h-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (431 Da, Ligand)
- Adenosine-5'-diphosphate (427 Da, Ligand)
- Nlrp3 nacht domain (120 kDa, Complex from Homo sapiens)
SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to linker variant of affinity matured ACE2 mimetic CVD432
Resolution: 3.4 Å
EM Method: Single-particle
Fitted PDBs: 8dv1
Q-score: 0.415
Remesh SG, Merz GE, Brilot AF, Chio US, Rizo AN, Pospiech Jr TH, Lui I, Laurie MT, Glasgow J, Le CQ, Zhang Y, Diwanji D, Hernandez E, Lopez J, Mehmood H, Pawar KI, Pourmal S, Smith AM, Zhou F, DeRisi J, Kortemme T, Rosenberg OS, Glasgow A, Leung KK, Wells JA, Verba KA
Structure (2023) 31 pp. 253- [ DOI: doi:10.1016/j.str.2023.01.009 Pubmed: 36805129 ]
- Angiotensin-converting enzyme 2,immunoglobulin gamma-1 heavy chain fusion (Complex from Homo sapiens)
- Spike glycoprotein (Complex from Severe acute respiratory syndrome coronavirus 2)
- Sars-cov-2 wuhan-hu-1-spike bound to linker variant of affinity matured ace2 mimetic cvd432 (Complex)
- Spike glycoprotein (133 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Angiotensin-converting enzyme 2,immunoglobulin gamma-1 heavy chain fusion,immunoglobulin gamma-1 heavy chain (110 kDa, Protein from Homo sapiens)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to computationally engineered ACE2 mimetic CVD293
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 8dv2
Q-score: 0.394
Remesh SG, Merz GE, Brilot AF, Chio US, Rizo AN, Pospiech Jr TH, Lui I, Laurie MT, Glasgow J, Le CQ, Zhang Y, Diwanji D, Hernandez E, Lopez J, Mehmood H, Pawar KI, Pourmal S, Smith AM, Zhou F, DeRisi J, Kortemme T, Rosenberg OS, Glasgow A, Leung KK, Wells JA, Verba KA
Structure (2023) 31 pp. 253- [ DOI: doi:10.1016/j.str.2023.01.009 Pubmed: 36805129 ]
- Spike glycoprotein (Complex from Homo sapiens)
- Angiotensin-converting enzyme 2,immunoglobulin gamma-1 heavy chain fusion (113 kDa, Protein from Homo sapiens)
- Angiotensin-converting enzyme 2,immunoglobulin gamma-1 heavy chain fusion (Complex)
- Spike glycoprotein (133 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Sars-cov-2 wuhan-hu-1-spike bound to linker variant of affinity matured ace2 mimetic cvd293 (Complex from Severe acute respiratory syndrome coronavirus 2)
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)