1L8S
 
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3QWW
 | | Crystal structure of histone lysine methyltransferase SmyD2 in complex with the methyltransferase inhibitor sinefungin | | Descriptor: | SET and MYND domain-containing protein 2, SINEFUNGIN, ZINC ION | | Authors: | Jiang, Y, Sirinupong, N, Brunzelle, J, Yang, Z. | | Deposit date: | 2011-02-28 | | Release date: | 2011-07-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of histone and p53 methyltransferase SmyD2 reveal a conformational flexibility of the autoinhibitory C-terminal domain.
Plos One, 6, 2011
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3QWV
 | | Crystal structure of histone lysine methyltransferase SmyD2 in complex with the cofactor product AdoHcy | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 2, ZINC ION | | Authors: | Jiang, Y, Sirinupong, N, Brunzelle, J, Yang, Z. | | Deposit date: | 2011-02-28 | | Release date: | 2011-07-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structures of histone and p53 methyltransferase SmyD2 reveal a conformational flexibility of the autoinhibitory C-terminal domain.
Plos One, 6, 2011
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4F0Z
 | | Crystal Structure of Calcineurin in Complex with the Calcineurin-Inhibiting Domain of the African Swine Fever Virus Protein A238L | | Descriptor: | Ankyrin repeat domain-containing protein A238L, CALCIUM ION, Calcineurin subunit B type 1, ... | | Authors: | Grigoriu, S, Peti, W, Page, R. | | Deposit date: | 2012-05-05 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The molecular mechanism of substrate engagement and immunosuppressant inhibition of calcineurin.
Plos Biol., 11, 2013
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3PSE
 | | Structure of a viral OTU domain protease bound to interferon-stimulated gene 15 (ISG15) | | Descriptor: | 1.7.6 3-bromanylpropan-1-amine, GLYCEROL, RNA polymerase, ... | | Authors: | Bacik, J.P, James, T.W, Frias-Staheli, N, Garcia-Sastre, A, Mark, B.L. | | Deposit date: | 2010-12-01 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for the removal of ubiquitin and interferon-stimulated gene 15 by a viral ovarian tumor domain-containing protease.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5VP8
 | | I38T mutant of 2009 H1N1 PA Endonuclease | | Descriptor: | 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-05-04 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
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5VPX
 | | I38T mutant of 2009 H1N1 PA Endonuclease in complex with RO-7 | | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-05-06 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
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5VQN
 | | E119D mutant of 2009 H1N1 PA Endonuclease in complex with RO-7 | | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-05-09 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
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3AAD
 | | Structure of the histone chaperone CIA/ASF1-double bromodomain complex linking histone modifications and site-specific histone eviction | | Descriptor: | Histone chaperone ASF1A, SULFATE ION, Transcription initiation factor TFIID subunit 1 | | Authors: | Akai, Y, Adachi, N, Hayashi, Y, Eitoku, M, Sano, N, Natsume, R, Kudo, N, Tanokura, M, Senda, T, Horikoshi, M. | | Deposit date: | 2009-11-16 | | Release date: | 2010-04-28 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the histone chaperone CIA/ASF1-double bromodomain complex linking histone modifications and site-specific histone eviction
Proc.Natl.Acad.Sci.USA, 107, 2010
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4MD8
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1YRN
 | | CRYSTAL STRUCTURE OF THE MATA1/MATALPHA2 HOMEODOMAIN HETERODIMER BOUND TO DNA | | Descriptor: | DNA (5'-D(*TP*AP*CP*AP*TP*GP*TP*AP*AP*TP*TP*TP*AP*TP*TP*AP*C P*AP*TP*CP*A)-3'), DNA (5'-D(*TP*AP*TP*GP*AP*TP*GP*TP*AP*AP*TP*AP*AP*AP*TP*TP*A P*CP*AP*TP*G)-3'), PROTEIN (MAT A1 HOMEODOMAIN), ... | | Authors: | Li, T, Stark, M.R, Johnson, A.D, Wolberger, C. | | Deposit date: | 1995-11-02 | | Release date: | 1996-01-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the MATa1/MAT alpha 2 homeodomain heterodimer bound to DNA.
Science, 270, 1995
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4MD7
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5BT1
 | | histone chaperone Hif1 playing with histone H2A-H2B dimer | | Descriptor: | HAT1-interacting factor 1, Histone H2A.1, Histone H2B.1 | | Authors: | Liu, H, Zhang, M, Gao, Y, Teng, M, Niu, L. | | Deposit date: | 2015-06-02 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural Insights into the Association of Hif1 with Histones H2A-H2B Dimer and H3-H4 Tetramer
Structure, 24, 2016
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4XW6
 | | X-ray structure of PKAc with ADP, free phosphate ion, CP20, magnesium ions | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | | Deposit date: | 2015-01-28 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
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4XW5
 | | X-ray structure of PKAc with ATP, CP20, calcium ions | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | | Deposit date: | 2015-01-28 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
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6EKM
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7K3L
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4XW4
 | | X-ray structure of PKAc with AMPPNP, SP20, calcium ions | | Descriptor: | CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | | Deposit date: | 2015-01-28 | | Release date: | 2015-05-06 | | Last modified: | 2015-07-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
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5TUV
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5LV5
 | | Crystal structure of mouse PRMT6 in complex with inhibitor LH1458 | | Descriptor: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium, Protein arginine N-methyltransferase 6 | | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-09-12 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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8PYW
 | | Crystal structure of the human Nucleoside-diphosphate kinase B domain bound to compound diphosphate form of AT-9052-Sp. | | Descriptor: | GLYCEROL, Nucleoside diphosphate kinase B, [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate | | Authors: | Feracci, M, Chazot, A. | | Deposit date: | 2023-07-26 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | An exonuclease-resistant chain-terminating nucleotide analogue targeting the SARS-CoV-2 replicase complex.
Nucleic Acids Res., 52, 2024
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5MHC
 | | Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, LYS-LEU-MET-PHE-LYS-TPO-GLU-GLY-PRO-ASP-SER-ASP, ... | | Authors: | Andrei, S, Ottmann, C, Leysen, S. | | Deposit date: | 2016-11-24 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
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5MOC
 | | Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Andrei, S, Ottmann, C, Leysen, S. | | Deposit date: | 2016-12-14 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
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3VKX
 | | Structure of PCNA | | Descriptor: | 3,5,3'TRIIODOTHYRONINE, CHLORIDE ION, Proliferating cell nuclear antigen, ... | | Authors: | Hashimoto, H, Hishiki, A, Shimizu, T, Sato, M, Punchihewa, C, Connelly, M, Actis, M, Waddell, B, Pagala, V, Fujii, N. | | Deposit date: | 2011-11-26 | | Release date: | 2012-03-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of small molecule proliferating cell nuclear antigen (PCNA) inhibitor that disrupts interactions with PIP-box proteins and inhibits DNA replication
J.Biol.Chem., 287, 2012
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4DGL
 | | Crystal Structure of the CK2 Tetrameric Holoenzyme | | Descriptor: | Casein kinase II subunit alpha, Casein kinase II subunit beta, ZINC ION | | Authors: | Lolli, G, Battistutta, R. | | Deposit date: | 2012-01-26 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural determinants of protein kinase CK2 regulation by autoinhibitory polymerization.
Acs Chem.Biol., 7, 2012
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