8ERT
 
 | | NLRP3 PYD filament | | Descriptor: | NACHT, LRR and PYD domains-containing protein 3 | | Authors: | Wu, H, Xiao, L. | | Deposit date: | 2022-10-12 | | Release date: | 2022-12-14 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of the active NLRP3 inflammasome disc.
Nature, 613, 2023
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8EJ4
 | | Cryo-EM structure of the active NLRP3 inflammasome disk | | Descriptor: | MAGNESIUM ION, NACHT, LRR and PYD domains-containing protein 3, ... | | Authors: | Hao, W, Le, X. | | Deposit date: | 2022-09-16 | | Release date: | 2022-12-14 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures of the active NLRP3 inflammasome disc.
Nature, 613, 2023
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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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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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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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8SXN
 | | Structure of NLRP3 and NEK7 complex | | 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: | 2023-05-22 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (4.04 Å) | | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism
Nat Commun, 2024
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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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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: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of the NEK7-independent NLRP3 inflammasome
To Be Published
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2NAQ
 | | 3D NMR solution structure of NLRP3 PYD | | Descriptor: | NACHT, LRR and PYD domains-containing protein 3 | | Authors: | de Alba, E, Oroz, J. | | Deposit date: | 2016-01-07 | | Release date: | 2016-07-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | ASC Pyrin Domain Self-associates and Binds NLRP3 Protein Using Equivalent Binding Interfaces.
J.Biol.Chem., 291, 2016
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5JUL
 | | Near atomic structure of the Dark apoptosome | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apaf-1 related killer DARK | | Authors: | Cheng, T.C, Akey, I.V, Yuan, S, Yu, Z, Ludtke, S.J, Akey, C.W. | | Deposit date: | 2016-05-10 | | Release date: | 2017-02-22 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | A Near-Atomic Structure of the Dark Apoptosome Provides Insight into Assembly and Activation.
Structure, 25, 2017
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4XHS
 | | Crystal structure of human NLRP12 PYD domain and implication in homotypic interaction | | Descriptor: | FORMIC ACID, Maltose-binding periplasmic protein,NACHT, LRR and PYD domains-containing protein 12, ... | | Authors: | Jin, T, Huang, M, Jiang, J, Xiao, T. | | Deposit date: | 2015-01-06 | | Release date: | 2016-01-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human NLRP12 PYD domain and implication in homotypic interaction
To Be Published
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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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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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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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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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7PZD
 | | Cryo-EM structure of the NLRP3 PYD filament | | Descriptor: | NACHT, LRR and PYD domains-containing protein 3 | | Authors: | Hochheiser, I.V, Hagelueken, G, Behrmann, H, Behrmann, E, Geyer, M. | | Deposit date: | 2021-10-12 | | Release date: | 2022-04-20 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Directionality of PYD filament growth determined by the transition of NLRP3 nucleation seeds to ASC elongation.
Sci Adv, 8, 2022
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3QF2
 | | Crystal structure of NALP3 PYD | | Descriptor: | NACHT, LRR and PYD domains-containing protein 3 | | Authors: | Park, H.H, Bae, J.Y. | | Deposit date: | 2011-01-21 | | Release date: | 2011-08-31 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of NALP3 Protein Pyrin Domain (PYD) and Its Implications in Inflammasome Assembly
J.Biol.Chem., 286, 2011
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2NSN
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4EWI
 | | Crystal structure of the NLRP4 Pyrin domain | | Descriptor: | CHLORIDE ION, NACHT, LRR and PYD domains-containing protein 4, ... | | Authors: | Eibl, C, Hessenberger, M, Puehringer, S, Page, R, Diederichs, K, Peti, W. | | Deposit date: | 2012-04-27 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural and Functional Analysis of the NLRP4 Pyrin Domain.
Biochemistry, 51, 2012
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4M6R
 | | Structural and biochemical basis for the inhibition of cell death by APIP, a methionine salvage enzyme | | Descriptor: | Methylthioribulose-1-phosphate dehydratase, ZINC ION | | Authors: | Kang, W, Hong, S.H, Lee, H.M, Kim, N.Y, Lim, Y.C, Le, L.T.M, Lim, B, Kim, H.C, Kim, T.Y, Ashida, H, Yokota, A, Hah, S.S, Chun, K.H, Jung, Y.K, Yang, J.K. | | Deposit date: | 2013-08-10 | | Release date: | 2014-01-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and biochemical basis for the inhibition of cell death by APIP, a methionine salvage enzyme.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6NCV
 | | Cryo-EM structure of NLRP6 PYD filament | | Descriptor: | NACHT, LRR and PYD domains-containing protein 6 | | Authors: | Shen, C, Fu, T.M, Wu, H. | | Deposit date: | 2018-12-12 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular mechanism for NLRP6 inflammasome assembly and activation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NDJ
 | | Crystal structure of human NLRP6 PYD domain with MBP fusion | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein, NACHT, LRR and PYD domains-containing protein 6 chimera | | Authors: | Shen, C, Fu, T.M, Wu, H. | | Deposit date: | 2018-12-13 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Molecular mechanism for NLRP6 inflammasome assembly and activation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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2L6A
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2KM6
 | | NMR structure of the NLRP7 Pyrin domain | | Descriptor: | NACHT, LRR and PYD domains-containing protein 7 | | Authors: | Pinheiro, A, Proell, M, Schwarzenbacher, R, Peti, W. | | Deposit date: | 2009-07-21 | | Release date: | 2010-06-09 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of the NLRP7 pyrin domain: insight into pyrin-pyrin-mediated effector domain signaling in innate immunity.
J.Biol.Chem., 285, 2010
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9C6V
 | | Crystal Structure of a single chain trimer composed of HLA-B*39:06 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 (1 molecule/asymmetric unit) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sharma, R, Amdare, N.P, Celikgil, A, Garforth, S.J, DiLorenzo, T.P, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-06-09 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical analysis of highly similar HLA-B allotypes differentially associated with type 1 diabetes.
J.Biol.Chem., 300, 2024
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