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8RI2
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BU of 8ri2 by Molmil
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
8WSM
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BU of 8wsm by Molmil
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
8SXN
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BU of 8sxn by Molmil
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
8SWK
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BU of 8swk by Molmil
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
8SWF
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BU of 8swf by Molmil
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
8FW2
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BU of 8fw2 by Molmil
Cryo-EM structure of full-length human NLRC4 inflammasome with C11 symmetry
Descriptor: NLR family CARD domain-containing protein 4
Authors:Matico, R.E, Yu, X, Miller, R, Somani, S, Ricketts, M.D, Kumar, N, Steele, R.A, Medley, Q, Berger, S, Faustin, B, Sharma, S.
Deposit date:2023-01-20
Release date:2024-01-03
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of the human NAIP/NLRC4 inflammasome assembly and pathogen sensing.
Nat.Struct.Mol.Biol., 31, 2024
8FW9
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BU of 8fw9 by Molmil
Cryo-EM structure of full-length human NLRC4 inflammasome with C12 symmetry
Descriptor: NLR family CARD domain-containing protein 4
Authors:Matico, R.E, Yu, X, Miller, R, Somani, S, Ricketts, M.D, Kumar, N, Steele, R.A, Medley, Q, Berger, S, Faustin, B, Sharma, S.
Deposit date:2023-01-20
Release date:2024-01-03
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (4.46 Å)
Cite:Structural basis of the human NAIP/NLRC4 inflammasome assembly and pathogen sensing.
Nat.Struct.Mol.Biol., 31, 2024
8FVU
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BU of 8fvu by Molmil
Cryo-EM structure of human Needle/NAIP/NLRC4 (R288A)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1, Lethal factor,Type III secretion system protein, ...
Authors:Matico, R.E, Yu, X, Miller, R, Somani, S, Ricketts, M.D, Kumar, N, Steele, R.A, Medley, Q, Berger, S, Faustin, B, Sharma, S.
Deposit date:2023-01-19
Release date:2024-01-03
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of the human NAIP/NLRC4 inflammasome assembly and pathogen sensing.
Nat.Struct.Mol.Biol., 31, 2024
8FML
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BU of 8fml by Molmil
Cryo-EM structure of NLR family apoptosis inhibitory protein 5 (NAIP5) in complex with a full-length flagellin (FliC) ligand
Descriptor: Baculoviral IAP repeat-containing protein 1e, Flagellin
Authors:Paidimuddala, B, Zhang, L.
Deposit date:2022-12-23
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural basis for flagellin-induced NAIP5 activation.
Sci Adv, 9, 2023
8H96
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BU of 8h96 by Molmil
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
8H95
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BU of 8h95 by Molmil
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
8H94
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BU of 8h94 by Molmil
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
8H93
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BU of 8h93 by Molmil
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
8ETR
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BU of 8etr by Molmil
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:2022-11-23
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
8EJ4
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BU of 8ej4 by Molmil
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:2023-02-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of the active NLRP3 inflammasome disc.
Nature, 613, 2023
7ZGU
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BU of 7zgu by Molmil
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
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of the NEK7-independent NLRP3 inflammasome
To Be Published
7WGE
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BU of 7wge by Molmil
Human NLRP1 complexed with thioredoxin
Descriptor: MAGNESIUM ION, NACHT, LRR and PYD domains-containing protein 1, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2021-12-28
Release date:2023-07-05
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for thioredoxin-mediated suppression of NLRP1 inflammasome.
Nature, 622, 2023
7WBU
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BU of 7wbu by Molmil
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:2022-04-27
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
7WBT
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BU of 7wbt by Molmil
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:2022-04-27
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
7VTQ
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BU of 7vtq by Molmil
Cryo-EM structure of mouse NLRP3 (full-length) dodecamer
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:2022-03-23
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Structural basis for the oligomerization-mediated regulation of NLRP3 inflammasome activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VTP
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BU of 7vtp by Molmil
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:2022-03-23
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
7PZC
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BU of 7pzc by Molmil
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:2022-04-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the NLRP3 decamer bound to the cytokine release inhibitor CRID3.
Nature, 604, 2022
7RAV
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BU of 7rav by Molmil
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:2023-03-01
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
7LFH
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BU of 7lfh by Molmil
Cryo-EM structure of NLRP3 double-ring cage, 6-fold (12-mer)
Descriptor: NACHT, LRR and PYD domains-containing protein 3
Authors:Andreeva, L, Rawson, S, Wu, H.
Deposit date:2021-01-17
Release date:2021-12-15
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:NLRP3 cages revealed by full-length mouse NLRP3 structure control pathway activation.
Cell, 184, 2021
7ALV
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BU of 7alv by Molmil
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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