8VQ3
 
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | Deposit date: | 2024-01-17 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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8VLB
 | | Crystal structure of EloBC-VHL-CDO1 complex bound to compound 4 molecular glue | | Descriptor: | CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ... | | Authors: | Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G. | | Deposit date: | 2024-01-11 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
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8VL9
 | | Crystal structure of EloBC-VHL-CDO1 complex bound to compound 8 molecular glue | | Descriptor: | CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ... | | Authors: | Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G. | | Deposit date: | 2024-01-11 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
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8VGZ
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8VAT
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8V7L
 | | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | Deposit date: | 2023-12-04 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
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8V6V
 | | Cryo-EM structure of doubly-bound SNF2h-nucleosome complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | Deposit date: | 2023-12-03 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
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8V4Y
 | | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Histone H2A type 1, ... | | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | Deposit date: | 2023-11-29 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
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8UW3
 | | Human LINE-1 retrotransposon ORF2 protein engaged with template RNA in elongation state | | Descriptor: | Complementary DNA, LINE-1 retrotransposable element ORF2 protein, THYMIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Thawani, A, Florez Ariza, A.J, Collins, K, Nogales, E. | | Deposit date: | 2023-11-06 | | Release date: | 2023-12-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Template and target-site recognition by human LINE-1 in retrotransposition.
Nature, 626, 2024
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8UV0
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8USS
 | | IL17A complexed to Compound 7 | | Descriptor: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | | Authors: | Argiriadi, M.A, Ramos, A.L. | | Deposit date: | 2023-10-29 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
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8USR
 | | IL17A homodimer complexed to Compound 23 | | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | | Authors: | Argiriadi, M.A, Ramos, A.L. | | Deposit date: | 2023-10-29 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
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8URB
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8UQE
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 26-residue linker (RING not modeled in density) | | Descriptor: | E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.562 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQD
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (condition 2. RING not modeled in density) | | Descriptor: | E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.893 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQC
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (crystallization condition 2) | | Descriptor: | E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, ZINC ION | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQB
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (crystallization condition 1) | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, ZINC ION | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.484 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQA
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 12-residue linker | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, SODIUM ION, ... | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.049 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQ9
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 4-residue linker | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ... | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQ8
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 2-residue linker | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ... | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UPF
 | | Cryo-EM structure of the human nucleosome core particle in complex with RNF168-UbcH5c | | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | | Deposit date: | 2023-10-22 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UO1
 | | CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class Q) | | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Papasergi-Scott, M.M, Skiniotis, G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 2024
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8UKU
 | | RNA polymerase II elongation complex with Fapy-dG lesion with CMP added | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Hou, P, Oh, J, Wang, D. | | Deposit date: | 2023-10-15 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG.
J.Am.Chem.Soc., 146, 2024
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8UKT
 | | RNA polymerase II elongation complex with Fapy-dG lesion with AMP added | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Hou, P, Oh, J, Wang, D. | | Deposit date: | 2023-10-15 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG.
J.Am.Chem.Soc., 146, 2024
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8UKS
 | | RNA polymerase II elongation complex with Fapy-dG lesion soaking with CTP before chemistry | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Hou, P, Oh, J, Wang, D. | | Deposit date: | 2023-10-15 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG.
J.Am.Chem.Soc., 146, 2024
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