8CYW
 
 | | CryoEM structures of amplified alpha-synuclein fibril class B type I with compact core from DLB case III | | Descriptor: | Alpha-synuclein | | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | | Deposit date: | 2022-05-24 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid
To Be Published
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8BI7
 | | Binary structure of 14-3-3s and PKR phosphopeptide | | Descriptor: | 14-3-3 protein sigma, MAGNESIUM ION, PKR phosphopeptide | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2022-11-01 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
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3HV7
 | | Human p38 MAP Kinase in Complex with RL38 | | Descriptor: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2009-06-15 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
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7N4K
 | | 6218 TCR in complex with H2-Db PA 224 | | Descriptor: | Beta-2-microglobulin, Fusion protein of T cell receptor alpha variable 21-DV12 and T-cell receptor, sp3.4 alpha chain, ... | | Authors: | Szeto, C, Gras, S. | | Deposit date: | 2021-06-04 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
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7N5P
 | | 6218 TCR in complex with H2-Db PA224-233 with a cysteine mutant | | Descriptor: | Beta-2-microglobulin, Fusion protein of T cell receptor alpha variable 21-DV12 and T-cell receptor, sp3.4 alpha chain, ... | | Authors: | Szeto, C, Gras, S. | | Deposit date: | 2021-06-06 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
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7N5Q
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1CG7
 | | HMG PROTEIN NHP6A FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | PROTEIN (NON HISTONE PROTEIN 6 A) | | Authors: | Allain, F.H.T, Yen, Y.M, Masse, J.E, Schultze, P, Dieckmann, T, Johnson, R.C, Feigon, J. | | Deposit date: | 1999-03-27 | | Release date: | 1999-10-14 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the HMG protein NHP6A and its interaction with DNA reveals the structural determinants for non-sequence-specific binding.
EMBO J., 18, 1999
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7PVU
 | | Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 | | Descriptor: | Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide | | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | | Deposit date: | 2021-10-05 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.154 Å) | | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
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6O6Q
 | | Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Casein kinase 2 catalytic subunit, ... | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-03-07 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans
To Be Published
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8QJS
 | | VHL/Elongin B/Elongin C complex with compound 155 | | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | Deposit date: | 2023-09-13 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.191 Å) | | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
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8QJR
 | | BRG1 bromodomain in complex with VBC via compound 17 | | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | Deposit date: | 2023-09-13 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
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1W0H
 | | Crystallographic structure of the nuclease domain of 3'hExo, a DEDDh family member, bound to rAMP | | Descriptor: | 3'-5' EXONUCLEASE ERI1, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION | | Authors: | Cheng, Y, Patel, D. | | Deposit date: | 2004-06-04 | | Release date: | 2004-09-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystallographic Structure of the Nuclease Domain of 3'Hexo, a Deddh Family Member, Bound to Ramp
J.Mol.Biol., 343, 2004
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8OR0
 | | CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 | | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ... | | Authors: | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
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6P7X
 | | Structure of the K. lactis CBF3 core - Ndc10 D1D2 complex | | Descriptor: | Cep3, Ctf13, Ndc10, ... | | Authors: | Lee, P.D, Wei, H, Tan, D, Harrison, S.C. | | Deposit date: | 2019-06-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure of the Centromere Binding Factor 3 Complex from Kluyveromyces lactis.
J.Mol.Biol., 431, 2019
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3OXG
 | | human lysine methyltransferase Smyd3 in complex with AdoHcy (Form III) | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION | | Authors: | Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J. | | Deposit date: | 2010-09-21 | | Release date: | 2011-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding.
Nucleic Acids Res., 39, 2011
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3HUB
 | | Human p38 MAP Kinase in Complex with Scios-469 | | Descriptor: | 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | | Deposit date: | 2009-06-13 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
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3HUC
 | | Human p38 MAP Kinase in Complex with RL40 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, ... | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2009-06-13 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
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3UZV
 | | Crystal structure of the dengue virus serotype 2 envelope protein domain III in complex with the variable domains of Mab 4E11 | | Descriptor: | ETHANOL, anti-dengue Mab 4E11, envelope protein | | Authors: | Cockburn, J.J.B, Navarro Sanchez, M.E, Fretes, N, Urvoas, A, Staropoli, I, Kikuti, C.M, Coffey, L.L, Arenzana Seisdedos, F, Bedouelle, H, Rey, F.A. | | Deposit date: | 2011-12-07 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanism of dengue virus broad cross-neutralization by a monoclonal antibody.
Structure, 20, 2012
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1WLJ
 | | human ISG20 | | Descriptor: | ACETATE ION, MANGANESE (II) ION, URIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Horio, T, Murai, M, Inoue, T, Hamasaki, T, Tanaka, T, Ohgi, T. | | Deposit date: | 2004-06-28 | | Release date: | 2004-12-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human ISG20, an interferon-induced antiviral ribonuclease
Febs Lett., 577, 2004
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6SIS
 | | Crystal structure of macrocyclic PROTAC 1 in complex with the second bromodomain of human Brd4 and pVHL:ElonginC:ElonginB | | Descriptor: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | | Authors: | Hughes, S.J, Testa, A, Ciulli, A. | | Deposit date: | 2019-08-10 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure-Based Design of a Macrocyclic PROTAC.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8OR4
 | | Partially dissociated CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 | | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ... | | Authors: | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | | Deposit date: | 2023-04-13 | | Release date: | 2023-06-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
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4QJH
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5FW5
 | | Crystal structure of human G3BP1 in complex with Semliki Forest Virus nsP3-25 comprising two FGDF motives | | Descriptor: | ACETATE ION, GLYCEROL, NON-STRUCTURAL PROTEIN 3, ... | | Authors: | Schulte, T, Liu, L, Panas, M.D, Thaa, B, Goette, B, Achour, A, McInerney, G.M. | | Deposit date: | 2016-02-12 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Combined structural, biochemical and cellular evidence demonstrates that both FGDF motifs in alphavirus nsP3 are required for efficient replication.
Open Biol, 6, 2016
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7ZNT
 | | CRYSTAL STRUCTURE OF AT7 IN COMPLEX WITH THE SECOND BROMODOMAIN OF HUMAN BRD4 AND PVHL:ELONGINC:ELONGINB | | Descriptor: | (2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | | Authors: | Hughes, S.J, Casement, R, Ciulli, A. | | Deposit date: | 2022-04-22 | | Release date: | 2022-09-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Functional E3 ligase hotspots and resistance mechanisms to small-molecule degraders.
Nat.Chem.Biol., 19, 2023
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1FTT
 | | THYROID TRANSCRIPTION FACTOR 1 HOMEODOMAIN (RATTUS NORVEGICUS) | | Descriptor: | THYROID TRANSCRIPTION FACTOR 1 HOMEODOMAIN | | Authors: | Fogolari, F, Esposito, G, Damante, G, Formisano, S, Di Lauro, R, Viglino, P. | | Deposit date: | 1995-10-03 | | Release date: | 1996-01-29 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Analysis of the solution structure of the homeodomain of rat thyroid transcription factor 1 by 1H-NMR spectroscopy and restrained molecular mechanics.
Eur.J.Biochem., 241, 1996
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