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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

2XUE

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	2012-08-29
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

1AW5

5-AMINOLEVULINATE DEHYDRATASE FROM SACCHAROMYCES CEREVISIAE
分子名称:	5-AMINOLEVULINATE DEHYDRATASE, ZINC ION
著者	Erskine, P.T, Cooper, J.B, Wood, S.P.
登録日	1997-10-09
公開日	1998-10-21
最終更新日	2021-11-03
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	X-ray structure of 5-aminolaevulinate dehydratase, a hybrid aldolase. Nat.Struct.Biol., 4, 1997

1QHR

NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
分子名称:	6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE, ALPHA THROMBIN, HIRUGEN
著者	Jhoti, H, Cleasby, A, Reid, S, Thomas, P, Wonacott, A.
登録日	1999-05-26
公開日	2000-05-31
最終更新日	2023-12-27
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template. Biochemistry, 38, 1999

4X8C

Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147
分子名称:	CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone
著者	Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J.
登録日	2014-12-10
公開日	2015-01-28
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (3.1 Å)
主引用文献	Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015

4X8G

Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK199
分子名称:	CALCIUM ION, Protein-arginine deiminase type-4, [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone
著者	Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J.
登録日	2014-12-10
公開日	2015-01-28
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (3.29 Å)
主引用文献	Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015

4ASK

CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1
分子名称:	3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
著者	Chung, C, Mosley, J, Liddle, J.
登録日	2012-05-01
公開日	2012-07-25
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.86 Å)
主引用文献	A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response Nature, 488, 2012

4EZ4

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

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

1QJ6

Novel Covalent Active Site Thrombin Inhibitors
分子名称:	6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN
著者	Jhoti, H, Cleasby, A.
登録日	1999-06-22
公開日	2000-06-22
最終更新日	2018-05-30
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template Biochemistry, 38, 1999

5FP8

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	2016-03-09
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

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	2019-01-16
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

5FP4

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	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

5FP3

Cell penetrant inhibitors of the JMJD2 (KDM4) and JARID1 (KDM5) families of histone lysine demethylases
分子名称:	3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, BICINE, COBALT (II) ION, ...
著者	Chung, C.
登録日	2015-11-27
公開日	2016-01-27
最終更新日	2019-10-30
実験手法	X-RAY DIFFRACTION (2.05 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

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

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

5FPB

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	2016-03-09
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

7A16

CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2229238A (COMPOUND 43)
分子名称:	5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者	Thorpe, J.H.
登録日	2020-08-11
公開日	2020-09-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'. Bioorg.Med.Chem.Lett., 30, 2020

7A14

CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2218325A (COMPOUND 32)
分子名称:	5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者	Thorpe, J.H.
登録日	2020-08-11
公開日	2020-09-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.14 Å)
主引用文献	Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'. Bioorg.Med.Chem.Lett., 30, 2020

7A12

CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GW557358X (COMPOUND 9)
分子名称:	5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者	Thorpe, J.H.
登録日	2020-08-11
公開日	2020-09-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'. Bioorg.Med.Chem.Lett., 30, 2020

7A15

CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2224863A (COMPOUND 42)
分子名称:	5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者	Thorpe, J.H.
登録日	2020-08-11
公開日	2020-09-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.15 Å)
主引用文献	Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'. Bioorg.Med.Chem.Lett., 30, 2020

7A13

CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK1978537A (COMPOUND 27)
分子名称:	5-chloranyl-3-(3-methoxyphenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者	Thorpe, J.H.
登録日	2020-08-11
公開日	2020-09-23
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.04 Å)
主引用文献	Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'. Bioorg.Med.Chem.Lett., 30, 2020

1QJ7

Novel Covalent Active Site Thrombin Inhibitors
分子名称:	6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN
著者	Jhoti, H, Cleasby, A.
登録日	1999-06-22
公開日	2000-06-22
最終更新日	2018-05-30
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template Biochemistry, 38, 1999

1QJ1

Novel Covalent Active Site Thrombin Inhibitors
分子名称:	6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN
著者	Jhoti, H, Cleasby, A.
登録日	1999-06-21
公開日	2000-06-22
最終更新日	2018-05-30
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template Biochemistry, 38, 1999

5OSA

GLIC-GABAAR alpha1 chimera crystallized at pH4.6
分子名称:	ACETATE ION, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ...
著者	Laverty, D.C, Gold, M.G, Smart, T.G.
登録日	2017-08-17
公開日	2017-10-11
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.75000238 Å)
主引用文献	Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites. Nat. Struct. Mol. Biol., 24, 2017

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