5A7P
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 36
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, SULFATE ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Kopec, J., Tallant, C., Froese, S., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A7Q
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 30
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, ...
Authors:Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Kopec, J., Dixon-Clarke, S., MacKenzie, A., Nowak, R., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A7S
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 44
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, ZINC ION, ...
Authors:Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Kopec, J., Tallant, C., Froese, S., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A7W
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 35
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, SULFATE ION, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, ...
Authors:Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Kopec, J., Tallant, C., Froese, S., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-10
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A80
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 40
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, SULFATE ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Kopec, J., Tallant, C., Froese, S., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-11
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5FPV
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND KDOAM20A
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, ...
Authors:Srikannathasan, V., Gileadi, C., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2015-12-03
Release date:2016-01-13
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5F5I
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CRYSTAL STRUCTURE OF HUMAN JMJD2A COMPLEXED WITH KDOOA011340
Descriptor:Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION, ...
Authors:Krojer, T., Vollmar, M., Crawley, L., Szykowska, A., Gileadi, C., Johansson, C., England, K., Yang, H., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., Oppermann, U., von Delft, F., Structural Genomics Consortium (SGC)
Deposit date:2015-12-04
Release date:2015-12-30
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5D6W
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CRYSTAL STRUCTURE OF DOUBLE TUDOR DOMAIN OF HUMAN LYSINE DEMETHYLASE KDM4A
Descriptor:Lysine-specific demethylase 4A, S,R MESO-TARTARIC ACID
Authors:Wang, F., Su, Z., Denu, J.M., Phillips Jr., G.N., Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2015-11-25
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
5D6X
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CRYSTAL STRUCTURE OF DOUBLE TUDOR DOMAIN OF HUMAN LYSINE DEMETHYLASE KDM4A
Descriptor:Lysine-specific demethylase 4A, SULFATE ION
Authors:Wang, F., Su, Z., Denu, J.M., Phillips Jr., G.N., Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2015-11-25
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
4PL6
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STRUCTURE OF THE CHROMODOMAIN OF MRG2 IN COMPLEX WITH H3K4ME3
Descriptor:At1g02740, H3K4me3
Authors:Liu, Y.C., Huang, Y.
Deposit date:2014-05-16
Release date:2015-07-22
Last modified:2016-05-04
Method:X-RAY DIFFRACTION (1.681 Å)
Cite:Regulation of arabidopsis flowering by the histone mark readers MRG1/2 via interaction with CONSTANS to modulate FT expression.
Plos Genet., 10, 2014
5A3N
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CRYSTAL STRUCTURE OF HUMAN PLU-1 (JARID1B) IN COMPLEX WITH KDOAM25A
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Srikannathasan, V., Johansson, C., Gileadi, C., Nuzzi, A., Ruda, G.F., Kopec, J., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Brennan, P., Oppermann, U.
Deposit date:2015-06-02
Release date:2015-07-08
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.
Cell Chem Biol, 24, 2017
5C0M
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CRYSTAL STRUCTURE OF SGF29 TANDEM TUDOR DOMAIN IN COMPLEX WITH A CARBA CONTAINING PEPTIDE
Descriptor:SAGA-associated factor 29 homolog, Carba-containing peptide, SULFATE ION, ...
Authors:Dong, A., Xu, C., Tempel, W., Cerovina, T., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2015-06-12
Release date:2015-07-01
Last modified:2016-03-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Chemical basis for the recognition of trimethyllysine by epigenetic reader proteins.
Nat Commun, 6, 2015
4URA
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 14A
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:Krojer, T., England, K.S., Vollmar, M., Crawley, L., Williams, E., Riesebos, E., Szykowska, A., Burgess-Brown, N., Oppermann, U., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2014-06-27
Release date:2015-06-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5, 2014
5A1H
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CRYSTAL STRUCTURE OF HUMAN SPINDLIN3
Descriptor:SPINDLIN-3
Authors:Srikannathasan, V., Gileadi, C., Johansson, C., Shrestha, L., Tallon, R., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2015-04-30
Release date:2015-06-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Spindlin3
To be Published
2MUM
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SOLUTION STRUCTURE OF THE PHD DOMAIN OF YEAST YNG2
Descriptor:Chromatin modification-related protein YNG2, ZINC ION
Authors:Taeb, S., Kaustov, L., Lemak, A., Farhadi, S., Sheng, Y.
Deposit date:2014-09-12
Release date:2014-12-24
Method:SOLUTION NMR
Cite:Solution structure of the PHD domain of Yeast YNG2
To be Published
4UY4
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1.86 A STRUCTURE OF HUMAN SPINDLIN-4 PROTEIN IN COMPLEX WITH HISTONE H3K4ME3 PEPTIDE
Descriptor:SPINDLIN-4, HISTONE H3K4ME3, GLYCEROL
Authors:Talon, R., Gileadi, C., Johansson, C., Burgess-Brown, N., Shrestha, L., von Delft, F., Krojer, T., Fairhead, M., Bountra, C., Arrowsmith, C.H., Edwards, A., Oppermann, U.
Deposit date:2014-08-28
Release date:2014-09-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.862 Å)
Cite:1.86 A Structure of Human Spindlin-4 Protein in Complex with Histone H3K4Me3 Peptide
To be Published
4MZG
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CRYSTAL STRUCTURE OF HUMAN SPINDLIN1 BOUND TO HISTONE H3K4ME3 PEPTIDE
Descriptor:Peptide from Histone H3.2, Spindlin-1, (4R)-2-METHYLPENTANE-2,4-DIOL, ...
Authors:Su, X., Ding, X., Li, H.
Deposit date:2013-09-30
Release date:2014-03-26
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Molecular basis underlying histone H3 lysine-arginine methylation pattern readout by Spin/Ssty repeats of Spindlin1
Genes Dev., 28, 2014
4C1Q
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CRYSTAL STRUCTURE OF THE PRDM9 SET DOMAIN IN COMPLEX WITH H3K4ME2 AND ADOHCY.
Descriptor:HISTONE-LYSINE N-METHYLTRANSFERASE PRDM9, HISTONE H3.1, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Mathioudakis, N., Cusack, S., Kadlec, J.
Deposit date:2013-08-13
Release date:2013-10-16
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis for the Regulation of the H3K4 Methyltransferase Activity of Prdm9.
Cell Rep., 5, 2013
2M3H
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STRUCTURE OF DIDO PHD DOMAIN
Descriptor:Death-inducer obliterator 1, ZINC ION
Authors:Santiveri, C.M., Perez-Canadillas, J.M., Jimenez, M.
Deposit date:2013-01-19
Release date:2013-08-07
Method:SOLUTION NMR
Cite:NMR structure note: PHD domain from death inducer obliterator protein and its interaction with H3K4me3.
J.Biomol.Nmr, 56, 2013
4L7X
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CRYSTAL STRUCTURE OF THE DIDO PHD FINGER IN COMPLEX WITH H3K4ME3
Descriptor:Death-inducer obliterator 1, Histone H3 peptide, ZINC ION
Authors:Tong, Q., Gatchalian, J., Kutateladze, T.G.
Deposit date:2013-06-14
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Dido3 PHD Modulates Cell Differentiation and Division.
Cell Rep, 4, 2013
4L58
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CRYSTAL STRUCTURE OF THE MLL5 PHD FINGER IN COMPLEX WITH H3K4ME3
Descriptor:Histone-lysine N-methyltransferase MLL5, Histone H3 peptide, ZINC ION
Authors:Tong, Q., Ali, M., Kutateladze, T.G.
Deposit date:2013-06-10
Release date:2013-06-26
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Molecular basis for chromatin binding and regulation of MLL5.
Proc.Natl.Acad.Sci.USA, 110, 2013
2M1R
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PHD DOMAIN OF ING4 N214D MUTANT
Descriptor:Inhibitor of growth protein 4, ZINC ION
Authors:Blanco, F.J.
Deposit date:2012-12-05
Release date:2012-12-26
Method:SOLUTION NMR
Cite:Functional impact of cancer-associated mutations in the tumor suppressor protein ING4.
Carcinogenesis, 31, 2010
4H75
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CRYSTAL STRUCTURE OF HUMAN SPINDLIN1 IN COMPLEX WITH A HISTONE H3K4(ME3) PEPTIDE
Descriptor:Spindlin-1, Histone H3, GLYCEROL, ...
Authors:Yang, N., Wang, W., Wang, Y., Wang, M., Zhao, Q., Rao, Z., Zhu, B., Xu, R.M.
Deposit date:2012-09-20
Release date:2012-10-03
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Distinct mode of methylated lysine-4 of histone H3 recognition by tandem tudor-like domains of Spindlin1.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GD4
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CRYSTAL STRUCTURE OF JMJD2A COMPLEXED WITH INHIBITOR
Descriptor:Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION, ...
Authors:King, O.N.F., Krojer, T., Arrowsmith, C.H., Edwards, A., Bountra, C., McDonough, M.A., Schofield, C.J., Structural Genomics Consortium (SGC)
Deposit date:2012-07-31
Release date:2012-08-15
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal Structure of JMJD2A Complexed with Inhibitor
TO BE PUBLISHED
3RVH
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CRYSTAL STRUCTURE OF JMJD2A COMPLEXED WITH INHIBITOR
Descriptor:Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION, ...
Authors:King, O.N.F., Maloney, D.J., Tumber, A., Rai, G., Jadhav, A., Clifton, I.J., Heightman, T.D., Simeonov, A., McDonough, M.A., Schofield, C.J.
Deposit date:2011-05-06
Release date:2012-05-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Crystal Structure of JMJD2A Complexed with Inhibitor
To be Published