8DGM
 
 | | 14-3-3 epsilon bound to phosphorylated PEAK1 (pT1165) peptide | | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Inactive tyrosine-protein kinase PEAK1 | | Authors: | Roy, M.J, Hardy, J.M, Lucet, I.S. | | Deposit date: | 2022-06-24 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
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8DGP
 | | 14-3-3 epsilon bound to phosphorylated PEAK3 (pS69) peptide | | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Phosphorylated PEAK3 (pS69) peptide, ... | | Authors: | Roy, M.J, Hardy, J.M, Lucet, I.S. | | Deposit date: | 2022-06-24 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
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6Q0D
 | | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | | Authors: | Dranow, D.M, Davies, D.R. | | Deposit date: | 2019-08-01 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
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6Q3M
 | | Structure of CHD4 PHD2 - tandem chromodomains | | Descriptor: | 1,2-ETHANEDIOL, Chromodomain-helicase-DNA-binding protein 4, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Alt, A, Mancini, E.J. | | Deposit date: | 2018-12-04 | | Release date: | 2019-12-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structure of histone readers
To Be Published
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8D9J
 | | SAMHD1-DNA complex | | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*AP*AP*TP*G)-3'), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Hollis, T.J, Batalis, S.M. | | Deposit date: | 2022-06-10 | | Release date: | 2023-07-05 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Protein oxidation increases SAMHD1 binding ssDNA via its regulatory site.
Nucleic Acids Res., 51, 2023
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8D94
 | | SAMHD1-DNA complex | | Descriptor: | CALCIUM ION, DNA (5'-D(P*TP*GP*T)-3'), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Hollis, T.J, Batalis, S.M. | | Deposit date: | 2022-06-09 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | SAMHD1-DNA complex
To Be Published
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5U2F
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5V67
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH Volasertib | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | | Authors: | EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E. | | Deposit date: | 2017-03-16 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 2021
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5UWH
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5UYX
 | | Structure of Human T-complex protein 1 subunit epsilon (CCT5) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit epsilon | | Authors: | Pereira, J.H, McAndrew, R.P, Sergeeva, O.A, Ralston, C.Y, King, J.A, Adams, P.D. | | Deposit date: | 2017-02-24 | | Release date: | 2017-07-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the human TRiC/CCT Subunit 5 associated with hereditary sensory neuropathy.
Sci Rep, 7, 2017
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5UWT
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4YOC
 | | Crystal Structure of human DNMT1 and USP7/HAUSP complex | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION | | Authors: | Cheng, J, Yang, H, Fang, J, Gong, R, Wang, P, Li, Z, Xu, Y. | | Deposit date: | 2015-03-11 | | Release date: | 2015-05-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.916 Å) | | Cite: | Molecular mechanism for USP7-mediated DNMT1 stabilization by acetylation.
Nat Commun, 6, 2015
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5UWU
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4YPC
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5UWI
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8DP5
 | | Structure of the PEAK3/14-3-3 complex | | Descriptor: | 14-3-3 protein beta/alpha, 14-3-3 protein epsilon, Protein PEAK3, ... | | Authors: | Torosyan, H, Paul, M, Jura, N, Verba, K.A. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into regulation of the PEAK3 pseudokinase scaffold by 14-3-3.
Nat Commun, 14, 2023
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5ULA
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4XZF
 | | Crystal structure of HIRAN domain of human HLTF in complex with DNA | | Descriptor: | (DA)(DC)(DC)(DG)(DC)(DC)(DG)(DG)(DG)(DT)(DG)(DC)(DC), Helicase-like transcription factor | | Authors: | Hishiki, A, Hashimoto, H. | | Deposit date: | 2015-02-04 | | Release date: | 2015-04-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structure of a Novel DNA-binding Domain of Helicase-like Transcription Factor (HLTF) and Its Functional Implication in DNA Damage Tolerance
J.Biol.Chem., 290, 2015
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8EAD
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5UWQ
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6Q3Y
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i | | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
J.Med.Chem., 62, 2019
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5V9T
 | | Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | | Descriptor: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ... | | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | | Deposit date: | 2017-03-23 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5UVW
 | | BRD4_Bromodomain1-A1376855 | | Descriptor: | Bromodomain-containing protein 4, N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide, SULFATE ION | | Authors: | Park, C.H. | | Deposit date: | 2017-02-20 | | Release date: | 2017-06-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | BRD4_Bromodomain1-A1376855
To Be Published
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6Q8F
 | | Nterminal domain of human SMU1 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, WD40 repeat-containing protein SMU1 | | Authors: | Tengo, L, Le Corre, L, Fournier, G, Ashraf, U, Busca, P, Rameix-Welti, M.-A, Gravier-Pelletier, C, Ruigrok, R.W.H, Jacob, Y, Vidalain, P.-O, Pietrancosta, N, Naffakh, N, McCarthy, A.A, Crepin, T. | | Deposit date: | 2018-12-14 | | Release date: | 2019-05-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Destabilization of the human RED-SMU1 splicing complex as a basis for host-directed antiinfluenza strategy.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5UWS
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