9MIG
 
 | | Cryo-EM structure of Human NLRP3 complex with compound 3 | | Descriptor: | (2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | | Authors: | Mammoliti, O, Carbajo, R.J, Perez-Benito, L, Yu, X, Prieri, M.L.C, Bontempi, L, Embrechts, S, Paesmans, I, Bassi, M, Bhattacharya, A, Roman, S.C, Hoog, S.D, Demin, S, Gijsen, H.J.M, Hache, G, Jacobs, T, Jerhaoui, S, Leenaerts, J, Lutter, F.H, Matico, R, Oehlrich, D, Perrier, M, Ryabchuk, P, Schepens, W, Sharma, S, Somers, M, Suarez, J, Surkyn, M, Opdenbosch, N.V, Verhulst, T, Bottelbergs, A. | | Deposit date: | 2024-12-12 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Discovery of Potent and Brain-Penetrant Bicyclic NLRP3 Inhibitors with Peripheral and Central In Vivo Activity.
J.Med.Chem., 68, 2025
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9MIE
 | | Human NLRP3 complex with compound 2 in the closed hexamer | | Descriptor: | (2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl)-5-(trifluoromethyl)phenol, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | | Authors: | Mammoliti, O, Carbajo, R.J, Perez-Benito, L, Yu, X. | | Deposit date: | 2024-12-12 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | Discovery of Potent and Brain-Penetrant Bicyclic NLRP3 Inhibitors with Peripheral and Central In Vivo Activity.
J.Med.Chem., 68, 2025
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3DD3
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3DBL
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4W9I
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 10) | | Descriptor: | (4R)-1-acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9K
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 14) | | Descriptor: | N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9G
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(3-methyl-4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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8H2H
 | | Cryo-EM structure of a Group II Intron Complexed with its Reverse Transcriptase | | Descriptor: | Group II intron-encoded protein LtrA, LtrB, RNA (5'-R(P*CP*AP*CP*AP*UP*CP*CP*AP*UP*AP*AP*C)-3') | | Authors: | Liu, N, Dong, X.L, Qu, G.S, Wang, J, Wang, H.W, Belfort, M. | | Deposit date: | 2022-10-06 | | Release date: | 2022-11-23 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Functionalized graphene grids with various charges for single-particle cryo-EM.
Nat Commun, 13, 2022
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8GPN
 | | Human menin in complex with H3K79Me2 nucleosome | | Descriptor: | DNA (177-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Lin, J, Yu, D, Lam, W.H, Dang, S, Zhai, Y, Li, X.D. | | Deposit date: | 2022-08-26 | | Release date: | 2023-02-15 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Menin "reads" H3K79me2 mark in a nucleosomal context.
Science, 379, 2023
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8ORM
 | | Cryo-EM structure of CAK-THZ1 | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-04-14 | | Release date: | 2023-08-30 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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7Z8B
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8EVJ
 | | CX3CR1 nucleosome bound PU.1 and C/EBPa | | Descriptor: | DNA (167-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | | Authors: | Guan, R, Bai, Y, Lian, T. | | Deposit date: | 2022-10-20 | | Release date: | 2023-11-01 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha.
Nat.Struct.Mol.Biol., 31, 2024
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8EVI
 | | CX3CR1 nucleosome and PU.1 complex containing disulfide bond mutations | | Descriptor: | DNA (167-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | | Authors: | Lian, T, Guan, R, Bai, Y. | | Deposit date: | 2022-10-20 | | Release date: | 2023-11-01 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha.
Nat.Struct.Mol.Biol., 31, 2024
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8EVH
 | | CX3CR1 nucleosome and wild type PU.1 complex | | Descriptor: | DNA (162-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | | Authors: | Lian, T, Guan, R, Bai, Y. | | Deposit date: | 2022-10-20 | | Release date: | 2023-11-01 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha.
Nat.Struct.Mol.Biol., 31, 2024
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8Q7H
 | | Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated and neddylated conformation - focused cullin dimer | | Descriptor: | Cullin-9, E3 ubiquitin-protein ligase RBX1, NEDD8, ... | | Authors: | Hopf, L.V.M, Horn-Ghetko, D, Schulman, B.A. | | Deposit date: | 2023-08-16 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 31, 2024
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7DTO
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8SXT
 | | Structure of LINE-1 ORF2p with template:primer hybrid | | Descriptor: | DNA primer, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ... | | Authors: | van Eeuwen, T, Taylor, M.S, Rout, M.P. | | Deposit date: | 2023-05-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
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1KQQ
 | | Solution Structure of the Dead ringer ARID-DNA Complex | | Descriptor: | 5'-D(*CP*CP*AP*CP*AP*TP*CP*AP*AP*TP*AP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*TP*AP*TP*TP*GP*AP*TP*GP*TP*GP*G)-3', DEAD RINGER PROTEIN | | Authors: | Iwahara, J, Iwahara, M, Daughdrill, G.W, Ford, J, Clubb, R.T. | | Deposit date: | 2002-01-07 | | Release date: | 2002-03-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The structure of the Dead ringer-DNA complex reveals how AT-rich interaction domains (ARIDs) recognize DNA.
EMBO J., 21, 2002
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5X79
 | | Human GST Pi conjugated with novel inhibitor, GS-ESF | | Descriptor: | (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase P | | Authors: | Tomoike, F, Shishido, Y, Fukui, K, Kimura, Y, Abe, H. | | Deposit date: | 2017-02-24 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1).
Chem. Commun. (Camb.), 53, 2017
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5XM2
 | | Human N-terminal domain of FACT complex subunit SPT16 | | Descriptor: | DI(HYDROXYETHYL)ETHER, FACT complex subunit SPT16, GLYCEROL | | Authors: | Xu, S, Li, H, Dou, Y, Chen, Y, Jiang, H, Lu, D, Wang, M, Su, D. | | Deposit date: | 2017-05-12 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | The structural basis of human Spt16 N-terminal domain interaction with histone (H3-H4)2tetramer.
Biochem.Biophys.Res.Commun., 508, 2019
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1L0O
 | | Crystal Structure of the Bacillus stearothermophilus Anti-Sigma Factor SpoIIAB with the Sporulation Sigma Factor SigmaF | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Anti-sigma F factor, MAGNESIUM ION, ... | | Authors: | Campbell, E.A, Masuda, S, Sun, J.L, Muzzin, O, Olson, C.A, Wang, S, Darst, S.A. | | Deposit date: | 2002-02-12 | | Release date: | 2002-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the Bacillus stearothermophilus anti-sigma factor SpoIIAB with the sporulation sigma factor sigmaF.
Cell(Cambridge,Mass.), 108, 2002
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8SXU
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7ZVN
 | | Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 1.87 A resolution | | Descriptor: | 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, CALCIUM ION, ... | | Authors: | Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M. | | Deposit date: | 2022-05-16 | | Release date: | 2022-09-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
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7ZVX
 | | Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 2.4 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, ... | | Authors: | Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M. | | Deposit date: | 2022-05-17 | | Release date: | 2022-09-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
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9E1X
 | | Snf2h bound nucleosome complex - ClassD1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (149-MER), DNA (150-MER), ... | | Authors: | Malik, D, Deshmukh, A.A, Bilokapic, S, Halic, M. | | Deposit date: | 2024-10-21 | | Release date: | 2025-01-22 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mechanisms of chromatin remodeling by an Snf2-type ATPase.
Biorxiv, 2025
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