6G5X
 
 | | Crystal Structure of KDM4A with compound YP-02-145 | | Descriptor: | 1,2-ETHANEDIOL, 2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid, CITRIC ACID, ... | | Authors: | Malecki, P.H, Carter, D.M, Gohlke, U, Specker, E, Nazare, M, Weiss, M.S, Heinemann, U. | | Deposit date: | 2018-03-30 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer.
J.Med.Chem., 64, 2021
|
|
2QQR
 | | JMJD2A hybrid tudor domains | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, SULFATE ION | | Authors: | Lee, J, Botuyan, M.V, Mer, G. | | Deposit date: | 2007-07-26 | | Release date: | 2007-12-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Distinct binding modes specify the recognition of methylated histones H3K4 and H4K20 by JMJD2A-tudor.
Nat.Struct.Mol.Biol., 15, 2008
|
|
4V2W
 | | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (16-35) | | Descriptor: | CHLORIDE ION, GLYCEROL, HISTONE H3.1T, ... | | Authors: | Chowdhury, R, Zafred, D, Schofield, C.J. | | Deposit date: | 2014-10-15 | | Release date: | 2014-11-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates.
Epigenetics, 9, 2014
|
|
5VAR
 | |
6G5W
 | | Crystal Structure of KDM4A with compound YP-03-038 | | Descriptor: | (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one, 1,2-ETHANEDIOL, CITRIC ACID, ... | | Authors: | Malecki, P.H, Carter, D.M, Gohlke, U, Specker, E, Nazare, M, Weiss, M.S, Heinemann, U. | | Deposit date: | 2018-03-30 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer.
J.Med.Chem., 64, 2021
|
|
2OX0
 | | Crystal structure of JMJD2A complexed with histone H3 peptide dimethylated at Lys9 | | Descriptor: | CHLORIDE ION, JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, ... | | Authors: | Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-19 | | Release date: | 2007-03-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
|
|
6H8P
 | | JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer) | | Descriptor: | CHLORIDE ION, GLYCEROL, Histone H1.4, ... | | Authors: | Chowdhury, R, Walport, L.J, Schofield, C.J. | | Deposit date: | 2018-08-03 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26.
FEBS Lett., 592, 2018
|
|
3PDQ
 | | Crystal structure of JMJD2A complexed with bipyridyl inhibitor | | Descriptor: | 4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ... | | Authors: | King, O.N.F, Chang, K.-H, Rose, N.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2010-10-23 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | Inhibition of histone demethylases by 4-carboxy-2,2'-bipyridyl compounds
Chemmedchem, 6, 2011
|
|
2P5B
 | | The complex structure of JMJD2A and trimethylated H3K36 peptide | | Descriptor: | FE (II) ION, Histone H3, JmjC domain-containing histone demethylation protein 3A, ... | | Authors: | Zhang, G, Chen, Z, Zang, J, Hong, X, Shi, Y. | | Deposit date: | 2007-03-14 | | Release date: | 2007-06-12 | | Last modified: | 2013-11-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural basis of the recognition of a methylated histone tail by JMJD2A.
Proc.Natl.Acad.Sci.USA, 104, 2007
|
|
5D6W
 | | 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: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
|
|
2OQ6
 | | Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys9 | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-31 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
|
|
4V2V
 | | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (25-29) ARK(me3)SA | | Descriptor: | CHLORIDE ION, HISTONE H3.1T, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Chowdhury, R, Madden, S.K, Schofield, C.J. | | Deposit date: | 2014-10-15 | | Release date: | 2014-11-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates.
Epigenetics, 9, 2014
|
|
5A7Q
 | | Crystal structure of human JMJD2A in complex with compound 30 | | Descriptor: | 1,2-ETHANEDIOL, 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, CHLORIDE ION, ... | | 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: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
|
|
5ANQ
 | | inhibitors of JumonjiC domain-containing histone demethylases | | Descriptor: | 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid, CHLORIDE ION, 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: | 2024-01-10 | | 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
|
|
2PXJ
 | | The complex structure of JMJD2A and monomethylated H3K36 peptide | | Descriptor: | FE (II) ION, JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, ... | | Authors: | Chen, Z, Zang, J, Kappler, J, Hong, X, Crawford, F, Zhang, G. | | Deposit date: | 2007-05-14 | | Release date: | 2007-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of the recognition of a methylated histone tail by JMJD2A
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2YBP
 | | JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE AND HISTONE H3K36me3 PEPTIDE (30-41) | | Descriptor: | (2R)-2-hydroxypentanedioic acid, GLYCEROL, HISTONE H3.1T, ... | | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2011-03-09 | | Release date: | 2011-03-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
|
|
2Q8C
 | | Crystal structure of JMJD2A in ternary complex with an histone H3K9me3 peptide and 2-oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, HISTONE 3 PEPTIDE, JmjC domain-containing histone demethylation protein 3A, ... | | Authors: | Couture, J.-F, Collazo, E, Ortiz-Tello, P, Brunzelle, J.S, Trievel, R.C. | | Deposit date: | 2007-06-10 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Specificity and mechanism of JMJD2A, a trimethyllysine-specific histone demethylase.
Nat.Struct.Mol.Biol., 14, 2007
|
|
2Q8E
 | | Specificity and Mechanism of JMJD2A, a Trimethyllysine-Specific Histone Demethylase | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Couture, J.-F, Collazo, E, Ortiz-Tello, P, Brunzelle, J.S, Trievel, R.C. | | Deposit date: | 2007-06-10 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Specificity and mechanism of JMJD2A, a trimethyllysine-specific histone demethylase.
Nat.Struct.Mol.Biol., 14, 2007
|
|
5FWE
 | | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H4(1-15)R3me2s PEPTIDE | | Descriptor: | CHLORIDE ION, GLYCEROL, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Chowdhury, R, Walport, L.J, Schofield, C.J. | | Deposit date: | 2016-02-15 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Arginine Demethylation is Catalysed by a Subset of Jmjc Histone Lysine Demethylases.
Nat.Commun., 7, 2016
|
|
5F32
 | | Crystal structure of human KDM4A in complex with compound 40 | | Descriptor: | 1,2-ETHANEDIOL, 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | 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: | 2024-01-10 | | 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
|
|
5F3C
 | | Crystal structure of human KDM4A in complex with compound 52d | | Descriptor: | 8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 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: | 2024-01-10 | | 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
|
|
5VGI
 | | Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352 | | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Hosfield, D.J. | | Deposit date: | 2017-04-11 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
|
|
5F2S
 | | Crystal structure of human KDM4A in complex with compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid, CHLORIDE ION, ... | | 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: | 2024-01-10 | | 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
|
|
5TVR
 | | JMJD2A in complex with Ni(II) and alpha-Ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Cascella, B, Lee, S.G, Jez, J.M. | | Deposit date: | 2016-11-09 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A.
Chem. Commun. (Camb.), 53, 2017
|
|
5FYI
 | | Crystal structure of human JMJD2A in complex with pyruvate | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | 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: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Crystal Structure of Human Jmjd2A in Complex with Pyruvate
To be Published
|
|
