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
5ANQ
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INHIBITORS OF JUMONJIC DOMAIN-CONTAINING HISTONE DEMETHYLASES
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid, FE (II) ION, ...
Authors:Roatsch, M., Robaa, D., Pippel, M., Nettleship, J.E., Reddivari, Y., Bird, L.E., Hoffmann, I., Franz, H., Owens, R.J., Schuele, R., Flaig, R., Sippl, W., Jung, M.
Deposit date:2015-09-07
Release date:2016-03-23
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substituted 2-(2-Aminopyrimidin-4-Yl)Pyridine-4-Carboxylates as Potent Inhibitors of Jumonjic Domain-Containing Histone Demethylases.
Fut.Med.Chem., 8, 2016
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
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
5D6Y
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CRYSTAL STRUCTURE OF DOUBLE TUDOR DOMAIN OF HUMAN LYSINE DEMETHYLASE KDM4A COMPLEXED WITH HISTONE H3K23ME3
Descriptor:Lysine-specific demethylase 4A, peptide H3K23me3 (19-28)
Authors:Wang, F., Su, Z., Miller, M.D., Denu, J.M., Phillips Jr., G.N., Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2016-02-10
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.287 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
5F2S
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CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 15
Descriptor:Lysine-specific demethylase 4A, ZINC ION, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid, ...
Authors:Le Bihan, Y.-V., Dempster, S., Westwood, I.M., van Montfort, R.L.M.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.08 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
5F2W
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CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 16
Descriptor:Lysine-specific demethylase 4A, ZINC ION, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide, ...
Authors:Le Bihan, Y.-V., Dempster, S., Westwood, I.M., van Montfort, R.L.M.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.6 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
5F32
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CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 40
Descriptor:Lysine-specific demethylase 4A, ZINC ION, 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, ...
Authors:Le Bihan, Y.-V., Dempster, S., Westwood, I.M., van Montfort, R.L.M.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.05 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
5F37
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CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 58
Descriptor:Lysine-specific demethylase 4A, ZINC ION, 3H-pyrido[3,4-d]pyrimidin-4-one, ...
Authors:Le Bihan, Y.-V., Dempster, S., Westwood, I.M., van Montfort, R.L.M.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.22 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
5F39
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CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 37
Descriptor:Lysine-specific demethylase 4A, ZINC ION, 8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, ...
Authors:Le Bihan, Y.-V., Dempster, S., Westwood, I.M., van Montfort, R.L.M.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.65 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
5F3C
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CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 52D
Descriptor:Lysine-specific demethylase 4A, ZINC ION, 8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, ...
Authors:Le Bihan, Y.-V., Westwood, I.M., van Montfort, R.L.M.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.06 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
5F3E
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CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 54A
Descriptor:Lysine-specific demethylase 4A, ZINC ION, 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, ...
Authors:Le Bihan, Y.-V., Westwood, I.M., van Montfort, R.L.M.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.16 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
5F3G
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CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 53A
Descriptor:Lysine-specific demethylase 4A, ZINC ION, 8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, ...
Authors:Le Bihan, Y.-V., Westwood, I.M., van Montfort, R.L.M.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.5 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
5F3I
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CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 54J
Descriptor:Lysine-specific demethylase 4A, ZINC ION, 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, ...
Authors:Le Bihan, Y.-V., Dempster, S., Westwood, I.M., van Montfort, R.L.M.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.24 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
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
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
5FWE
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JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H4(1-15)R3ME2S PEPTIDE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, SYNTHETIC PEPTIDE, NICKEL (II) ION, ...
Authors:Chowdhury, R., Walport, L.J., Schofield, C.J.
Deposit date:2016-02-15
Release date:2016-04-06
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Arginine Demethylation is Catalysed by a Subset of Jmjc Histone Lysine Demethylases.
Nat.Commun., 7, 2016
5FY8
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH D-THREO-ISOCITRATE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, NICKEL (II) ION, ZINC ION, ...
Authors:Nowak, R., Kopec, J., Johansson, C., Szykowska, A., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2016-03-04
Release date:2016-03-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Crystal Structure of Human Jmjd2A in Complex with D-Threo-Isocitrate
To be Published
5FYC
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH SUCCINATE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, NICKEL (II) ION, ZINC ION, ...
Authors:Nowak, R., Kopec, J., Johansson, C., Szykowska, A., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2016-03-07
Release date:2016-03-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.261 Å)
Cite:Crystal Structure of Human Jmjd2A in Complex with Succinate
To be Published
5FYH
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH FUMARATE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, ZINC ION, FUMARIC ACID, ...
Authors:Nowak, R., Kopec, J., Johansson, C., Szykowska, A., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2016-03-07
Release date:2016-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.348 Å)
Cite:Crystal Structure of Human Jmjd2A in Complex with Fumarate
To be Published
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