3JBL
 
 | | Cryo-EM Structure of the Activated NAIP2/NLRC4 Inflammasome Reveals Nucleated Polymerization | | Descriptor: | NLR family CARD domain-containing protein 4 | | Authors: | Zhang, L, Chen, S, Ruan, J, Wu, J, Tong, A.B, Yin, Q, Li, Y, David, L, Lu, A, Wang, W.L, Marks, C, Ouyang, Q, Zhang, X, Mao, Y, Wu, H. | | Deposit date: | 2015-09-05 | | Release date: | 2015-10-21 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Cryo-EM structure of the activated NAIP2-NLRC4 inflammasome reveals nucleated polymerization.
Science, 350, 2015
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8ZEM
 | | Crystal Structure of NLRP3 NACHT domain in complex with NP3-1 | | Descriptor: | 1-[5-[2,3-bis(chloranyl)phenyl]-2,3-dihydro-1~{H}-inden-4-yl]-3-[4-(2-oxidanylpropan-2-yl)thiophen-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Shi, C, Liu, Z.M. | | Deposit date: | 2024-05-06 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Deep-Learning-Driven Discovery of SN3-1, a Potent NLRP3 Inhibitor with Therapeutic Potential for Inflammatory Diseases.
J.Med.Chem., 67, 2024
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8RI2
 | | Crystal structure of NLRP3 in complex with inhibitor NP3-562 | | Descriptor: | 2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Dekker, C. | | Deposit date: | 2023-12-18 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors.
J.Med.Chem., 67, 2024
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7ZGU
 | | Human NLRP3-deltaPYD hexamer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 3 | | Authors: | Raisch, T, Machtens, D.A, Bresch, I.B, Eberhage, J, Prumbaum, D, Reubold, T.F, Raunser, S, Eschenburg, S. | | Deposit date: | 2022-04-04 | | Release date: | 2022-05-18 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of the NEK7-independent NLRP3 inflammasome
To Be Published
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7ALV
 | | Crystal Structure of NLRP3 NACHT domain in complex with a potent inhibitor | | Descriptor: | 1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Dekker, C, Hinniger, A. | | Deposit date: | 2020-10-07 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.835 Å) | | Cite: | Crystal Structure of NLRP3 NACHT Domain With an Inhibitor Defines Mechanism of Inflammasome Inhibition.
J.Mol.Biol., 433, 2021
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8ETR
 | | CryoEM Structure of NLRP3 NACHT domain in complex with G2394 | | Descriptor: | (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, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Murray, J.M, Johnson, M.C. | | Deposit date: | 2022-10-17 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor.
J.Med.Chem., 65, 2022
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8SWK
 | | Cryo-EM structure of NLRP3 closed hexamer | | Descriptor: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | | Authors: | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | | Deposit date: | 2023-05-18 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (4.32 Å) | | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism
Nat Commun, 2024
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8SWF
 | | Cryo-EM structure of NLRP3 open octamer | | Descriptor: | NACHT, LRR and PYD domains-containing protein 3 | | Authors: | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | | Deposit date: | 2023-05-18 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism
Nat Commun, 2024
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5IRN
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5IRM
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5IRL
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9GU4
 | | Crystal structure of NLRP3 in complex with inhibitor NP3-253 | | Descriptor: | 2-[6-[[(3R)-1-ethylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Srinivas, H. | | Deposit date: | 2024-09-18 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.696 Å) | | Cite: | Discovery of NP3-253, a Potent Brain Penetrant Inhibitor of the NLRP3 Inflammasome.
J.Med.Chem., 67, 2024
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9HG4
 | | NACHT domain of NLRP3 in complex with DFV890 | | Descriptor: | 1-[azanyl-oxidanylidene-[2-(2-oxidanylpropan-2-yl)-1,3-thiazol-5-yl]-$l^{6}-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Dekker, C. | | Deposit date: | 2024-11-18 | | Release date: | 2025-03-19 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.771 Å) | | Cite: | Discovery of DFV890, a Potent Sulfonimidamide-Containing NLRP3 Inflammasome Inhibitor.
J.Med.Chem., 68, 2025
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8WSM
 | | NLRP3 NACHT domain in complex with compound 32 | | Descriptor: | 2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Akai, S, Orita, T, Adachi, T. | | Deposit date: | 2023-10-17 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Novel NLRP3 Inflammasome Inhibitors Composed of an Oxazole Scaffold Bearing an Acylsulfamide.
Acs Med.Chem.Lett., 14, 2023
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7VTP
 | | Cryo-EM structure of PYD-deleted human NLRP3 hexamer | | Descriptor: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Ohto, U, Shimizu, T. | | Deposit date: | 2021-10-30 | | Release date: | 2022-03-09 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural basis for the oligomerization-mediated regulation of NLRP3 inflammasome activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WBT
 | | Crystal structure of bovine NLRP9 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 9 | | Authors: | Kamitsukasa, Y, Shimizu, T, Ohto, U. | | Deposit date: | 2021-12-17 | | Release date: | 2022-04-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The structure of NLRP9 reveals a unique C-terminal region with putative regulatory function.
Febs Lett., 596, 2022
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7WBU
 | | Cryo-EM structure of bovine NLRP9 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 9 | | Authors: | Kamitsukasa, Y, Shimizu, T, Ohto, U. | | Deposit date: | 2021-12-17 | | Release date: | 2022-04-06 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | The structure of NLRP9 reveals a unique C-terminal region with putative regulatory function.
Febs Lett., 596, 2022
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8H93
 | | Structure of dimeric mouse SCMC core complex | | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | | Authors: | Chi, P, Ou, G, Han, Z, Li, J, Deng, D. | | Deposit date: | 2022-10-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
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8H96
 | | Structure of mouse SCMC core complex | | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | | Authors: | Chi, P, Ou, G, Li, J, Han, Z, Deng, D. | | Deposit date: | 2022-10-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
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8H94
 | | Structure of mouse SCMC bound with KH domain of FILIA | | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | | Authors: | Chi, P, Ou, G, Han, Z, Li, J, Deng, D. | | Deposit date: | 2022-10-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
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8H95
 | | Structure of mouse SCMC bound with full-length FILIA | | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | | Authors: | Chi, P, Ou, G, Han, Z, Li, L, Deng, D. | | Deposit date: | 2022-10-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
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8FML
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7RAV
 | | Cryo-EM structure of the unliganded form of NLR family apoptosis inhibitory protein 5 (NAIP5) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1e | | Authors: | Paidimuddala, B, Cao, J, Xie, Q, Wu, H, Zhang, L. | | Deposit date: | 2021-07-02 | | Release date: | 2023-01-11 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanism of NAIP-NLRC4 inflammasome activation revealed by cryo-EM structure of unliganded NAIP5.
Nat.Struct.Mol.Biol., 30, 2023
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7PZC
 | | Cryo-EM structure of the NLRP3 decamer bound to the inhibitor CRID3 | | Descriptor: | 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Hochheiser, I.V, Pilsl, M, Hagelueken, G, Engel, C, Geyer, M. | | Deposit date: | 2021-10-12 | | Release date: | 2022-01-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the NLRP3 decamer bound to the cytokine release inhibitor CRID3.
Nature, 604, 2022
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6NPY
 | | Cryo-EM structure of NLRP3 bound to NEK7 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 3, ... | | Authors: | Sharif, H, Wang, L, Wang, W.L, Wu, H. | | Deposit date: | 2019-01-18 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural mechanism for NEK7-licensed activation of NLRP3 inflammasome.
Nature, 570, 2019
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