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5FP4
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BU of 5fp4 by Molmil
Crystal structure of human KDM4D in complex with 3-(4- phenylbutanamido)pyridine-4-carboxylic acid
分子名称: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, FE (II) ION, GLYCEROL, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP9
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BU of 5fp9 by Molmil
Crystal structure of human KDM4D in complex with 3-aminopyridine-4- carboxylic acid
分子名称: 3-AMINOPYRIDINE-4-CARBOXYLIC ACID, COBALT (II) ION, GLYCEROL, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2016-03-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FPA
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BU of 5fpa by Molmil
Crystal structure of human KDM4D in complex with 3H,4H-pyrido-3,4-d- pyrimidin-4-one
分子名称: 3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2016-03-09
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP8
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BU of 5fp8 by Molmil
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- ylmethylaminopyridine-4-carboxylic acid
分子名称: 3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP7
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BU of 5fp7 by Molmil
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- yl methylaminopyridine-4-carboxylic acid
分子名称: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, FE (II) ION, GLYCEROL, ...
著者Chung, C.
登録日2015-11-27
公開日2016-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 2. Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives.
J. Med. Chem., 59, 2016
5FPB
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BU of 5fpb by Molmil
Crystal structure of human KDM4D in complex with 2-1H-pyrazol-4-yloxy- 3H,4H-pyrido-3,4-d-pyrimidin-4-one
分子名称: 2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5AD2
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BU of 5ad2 by Molmil
Bivalent binding to BET bromodomains
分子名称: (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4
著者Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
登録日2015-08-19
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
5AD3
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BU of 5ad3 by Molmil
Bivalent binding to BET bromodomains
分子名称: 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4
著者Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
登録日2015-08-19
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
6FS1
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BU of 6fs1 by Molmil
MCL1 in complex with an indole acid ligand
分子名称: 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Kasmirski, S, Hargreaves, D.
登録日2018-02-18
公開日2018-12-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6FS2
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BU of 6fs2 by Molmil
MCL1 in complex with indole acid ligand
分子名称: 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Hargreaves, D.
登録日2018-02-18
公開日2018-12-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
2FB8
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BU of 2fb8 by Molmil
Structure of the B-Raf kinase domain bound to SB-590885
分子名称: (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, B-Raf proto-oncogene serine/threonine-protein kinase
著者Lougheed, J.C, Lee, J, Chau, D.C, Stout, T.J.
登録日2005-12-08
公開日2006-12-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885.
Cancer Res., 66, 2006
2XUE
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BU of 2xue by Molmil
CRYSTAL STRUCTURE OF JMJD3
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
著者Chung, C, Rowland, P, Mosley, J, Thomas, P.J.
登録日2010-10-19
公開日2011-12-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
4EZH
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BU of 4ezh by Molmil
the crystal structure of KDM6B bound with H3K27me3 peptide
分子名称: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Cheng, Z.J, Patel, D.J.
登録日2012-05-02
公開日2012-08-08
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
4EZ4
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BU of 4ez4 by Molmil
free KDM6B structure
分子名称: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Cheng, Z.J, Patel, D.J.
登録日2012-05-02
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
4EYU
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BU of 4eyu by Molmil
The free structure of the mouse C-terminal domain of KDM6B
分子名称: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Cheng, Z.J, Patel, D.J.
登録日2012-05-01
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
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