Cryo-EM structure of Human NLRP3 complex with compound 1
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 9mgy
Q-score: 0.457
Mammoliti O, Carbajo R, Perez-Benito L, Yu X, Prieri MLC, Bontempi L, Embrechts S, Paesmans I, Bassi M, Bhattacharya A, Canellas S, De Hoog S, Demin S, Gijsen HJM, Hache G, Jacobs T, Jerhaoui S, Leenaerts J, Lutter FH, Mahieu M, Matico R, Miller R, Oehlrich D, Perrier M, Ryabchuk P, Schepens W, Sharma S, Somers M, Suarez J, Surkyn M, Van Opdenbosch N, Verhulst T, Bottelbergs A
J Med Chem (2025) [ Pubmed: 39932543 DOI: doi:10.1021/acs.jmedchem.4c03108 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Nlrp3 hexamer (Complex from Homo sapiens)
- (2m)-2-(6-{[(3r)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol (352 Da, Ligand)
- Nacht, lrr and pyd domains-containing protein 3 (118 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
Human NLRP3 complex with compound 2 in the closed hexamer
Resolution: 3.93 Å
EM Method: Single-particle
Fitted PDBs: 9mie
Q-score: 0.356
Mammoliti O, Carbajo R, Perez-Benito L, Yu X, Prieri MLC, Bontempi L, Embrechts S, Paesmans I, Bassi M, Bhattacharya A, Canellas S, De Hoog S, Demin S, Gijsen HJM, Hache G, Jacobs T, Jerhaoui S, Leenaerts J, Lutter FH, Mahieu M, Matico R, Miller R, Oehlrich D, Perrier M, Ryabchuk P, Schepens W, Sharma S, Somers M, Suarez J, Surkyn M, Van Opdenbosch N, Verhulst T, Bottelbergs A
J Med Chem (2025) [ Pubmed: 39932543 DOI: doi:10.1021/acs.jmedchem.4c03108 ]
- (2p)-2-(4-{[(3r)-1-methylpiperidin-3-yl]amino}-6,7-dihydro-5h-cyclopenta[d]pyridazin-1-yl)-5-(trifluoromethyl)phenol (392 Da, Ligand)
- Human nlrp3 complex with compound 2 (Complex from Homo sapiens)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Nacht, lrr and pyd domains-containing protein 3 (118 kDa, Protein from Homo sapiens)
EM map Of Respiratory Syncytial Virus Polymerase in complex with JNJ-2729
Resolution: 3.24 Å
EM Method: Single-particle
Fitted PDBs: 9c7y
Q-score: 0.502
Tran MT, Grosse S, Carbajo RJ, Jacoby E, Yin Y, Yu X, Martinez C, Stoops B, Cooymans L, Hu L, Lutter FH, Pieters S, Tan E, Alcazar J, Roymans D, van Vlijmen H, Rigaux P, Sharma S, Jonckers THM
Acs Med.Chem.Lett. (2024) 15 pp. 1549-1558 [ DOI: doi:10.1021/acsmedchemlett.4c00272 Pubmed: 39291020 ]
- Rna-directed rna polymerase l (254 kDa, Protein from Human respiratory syncytial virus A2)
- (2s)-1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-[(4m)-4-(8-methoxyquinolin-6-yl)-1h-1,2,3-triazol-1-yl]propan-2-ol (585 Da, Ligand)
- Respiratory syncytial virus polymerase in complex with non-nucleoside inhibitor (Complex from Human respiratory syncytial virus A2)
- Phosphoprotein (29 kDa, Protein from Human respiratory syncytial virus A2)