7K6R
 
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3U9X
 | | Covalent attachment of pyridoxal-phosphate derivatives to 14-3-3 proteins | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-09 | | Last modified: | 2012-05-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent attachment of pyridoxal-phosphate derivatives to 14-3-3 proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7JVU
 | | Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with SAHA | | Descriptor: | 1,2-ETHANEDIOL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ... | | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | | Deposit date: | 2020-08-24 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5004766 Å) | | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
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6Y3O
 | | 14-3-3 Sigma in complex with phosphorylated CAMKK2 peptide | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CAMKK2, ... | | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | | Deposit date: | 2020-02-18 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
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7JT4
 | | Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan | | Descriptor: | Nucleosome-remodeling factor subunit BPTF | | Authors: | Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2020-08-17 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor
Org.Biomol.Chem., 17, 2019
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2JQM
 | | Yellow Fever Envelope Protein Domain III NMR Structure (S288-K398) | | Descriptor: | Envelope protein E | | Authors: | Volk, D.E, Gandham, S.H, May, F.J, Anderson, A, Barrett, A.D, Gorenstein, D.G. | | Deposit date: | 2007-06-03 | | Release date: | 2008-06-10 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Structure of yellow fever virus envelope protein domain III.
Virology, 394, 2009
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5WTC
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-12-11 | | Release date: | 2017-01-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
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6GUC
 | | CDK2/CyclinA in complex with SU9516 | | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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3UNJ
 | | CDK2 in complex with inhibitor YL1-038-31 | | Descriptor: | 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | | Authors: | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | | Deposit date: | 2011-11-15 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9001 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UDA
 | | Crystal Structure Analysis of FGF1-Disaccharide(NI24) complex | | Descriptor: | 2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-1-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid, Heparin-binding growth factor 1, PHOSPHATE ION | | Authors: | Hung, S.-C, Shi, Z. | | Deposit date: | 2011-10-27 | | Release date: | 2012-11-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Divergent synthesis of 48 heparan sulfate-based disaccharides and probing the specific sugar-fibroblast growth factor-1 interaction
J.Am.Chem.Soc., 134, 2012
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3ULI
 | | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | | Descriptor: | 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 | | Authors: | Larsen, N.A, Tucker, J.A, Wang, T. | | Deposit date: | 2011-11-10 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases.
Bioorg.Med.Chem.Lett., 22, 2012
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7JSA
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3UD9
 | | Crystal Structure Analysis of FGF1-Disaccharide(NI23) complex | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-1-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid, Heparin-binding growth factor 1, PHOSPHATE ION | | Authors: | Hung, S.-C, Shi, Z. | | Deposit date: | 2011-10-27 | | Release date: | 2012-11-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Divergent synthesis of 48 heparan sulfate-based disaccharides and probing the specific sugar-fibroblast growth factor-1 interaction
J.Am.Chem.Soc., 134, 2012
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6G8K
 | | 14-3-3sigma in complex with a S131beta3S mutated YAP pS127 phosphopeptide | | Descriptor: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-ALA-BSE-LEU-GLN, CHLORIDE ION, ... | | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | | Deposit date: | 2018-04-09 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins.
Chem.Commun.(Camb.), 55, 2019
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7JVW
 | | Crystal structure of human histone deacetylase 8 (HDAC8) G320R mutation complexed with M344 | | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | | Deposit date: | 2020-08-24 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.40301776 Å) | | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
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7K6S
 | | Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 4 (SKT1174) | | Descriptor: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2020-09-21 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.
Org.Biomol.Chem., 18, 2020
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6YL1
 | | Cdk2(F80C) with Covalent Adduct TK37 at F80C | | Descriptor: | Cyclin-dependent kinase 2, methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate | | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
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3UD7
 | | Crystal Structure Analysis of FGF1-Disaccharide(NI21) complexes | | Descriptor: | 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-1-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid, Heparin-binding growth factor 1, PHOSPHATE ION | | Authors: | Hung, S.-C, Shi, Z. | | Deposit date: | 2011-10-27 | | Release date: | 2012-11-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Divergent synthesis of 48 heparan sulfate-based disaccharides and probing the specific sugar-fibroblast growth factor-1 interaction
J.Am.Chem.Soc., 134, 2012
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7KDW
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3UGB
 | | UbcH5c~Ubiquitin Conjugate | | Descriptor: | GLYCEROL, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 D3 | | Authors: | Page, R.C, Pruneda, J.N, Klevit, R.E, Misra, S. | | Deposit date: | 2011-11-02 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural insights into the conformation and oligomerization of E2~ubiquitin conjugates.
Biochemistry, 51, 2012
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6YOX
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6Y8B
 | | 14-3-3 Sigma in complex with phosphorylated caspase{pS139} peptide | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | | Deposit date: | 2020-03-04 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
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3DVH
 | | LC8 Point mutant K36P | | Descriptor: | Dynein light chain 1, cytoplasmic | | Authors: | Lightcap, C.M, Williams, J.C. | | Deposit date: | 2008-07-18 | | Release date: | 2009-01-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical and structural characterization of the Pak1-LC8 interaction.
J.Biol.Chem., 283, 2008
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3DVP
 | | Pak1 peptide bound LC8 | | Descriptor: | Dynein light chain 1, cytoplasmic, P21 activated Kinase peptide | | Authors: | Lightcap, C.M, Williams, J.C. | | Deposit date: | 2008-07-18 | | Release date: | 2009-01-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Biochemical and structural characterization of the Pak1-LC8 interaction.
J.Biol.Chem., 283, 2008
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4I9A
 | | Crystal Structure of Sus scrofa Quinolinate Phosphoribosyltransferase in Complex with Nicotinate Mononucleotide | | Descriptor: | NICOTINATE MONONUCLEOTIDE, quinolinate phosphoribosyltransferase | | Authors: | Youn, H.-S, Kim, M.-K, Kang, K.B, Kim, T.G, Lee, J.-G, An, J.Y, Park, K.R, Lee, Y, Kang, J.Y, Song, H.E, Park, I, Cho, C, Fukuoka, S, Eom, S.H. | | Deposit date: | 2012-12-05 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Crystal structure of Sus scrofa quinolinate phosphoribosyltransferase in complex with nicotinate mononucleotide
Plos One, 8, 2013
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