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6UQC
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BU of 6uqc by Molmil
Mouse IgG2a Bispecific Fc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, F, Tsai, J.C, Davis, J.H, West, S.M, Strop, P.
登録日2019-10-18
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Design and characterization of mouse IgG1 and IgG2a bispecific antibodies for use in syngeneic models.
Mabs, 12, 2019
7KHD
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Human GITR-GITRL complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18
著者Wang, F, Chau, B, West, S.M, Strop, P.
登録日2020-10-21
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.956102 Å)
主引用文献Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Nat Commun, 12, 2021
7KHX
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Mouse GITR-GITRL complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, ...
著者Wang, F, Chau, B, West, S.M, Strop, P.
登録日2020-10-22
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.20569849 Å)
主引用文献Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Nat Commun, 12, 2021
7KQL
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Anti-Tim3 antibody Fab complex
分子名称: GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ...
著者Deng, X.A, West, S.M, Strop, P.
登録日2020-11-16
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Tim-3 mediates T cell trogocytosis to limit antitumor immunity.
J.Clin.Invest., 132, 2022
5FP3
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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2024-05-08
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
5FP8
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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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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
5FPA
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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
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
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
7S7I
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BU of 7s7i by Molmil
Crystal structure of Fab in complex with MICA alpha3 domain
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, ...
著者Lee, P.S, Strop, P.
登録日2021-09-16
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Residue-Level Characterization of Antibody Binding Epitopes Using Carbene Chemical Footprinting.
Anal.Chem., 95, 2023
5F37
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Crystal structure of human KDM4A in complex with compound 58
分子名称: 1,2-ETHANEDIOL, 3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M.
登録日2015-12-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M.
登録日2015-12-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: 8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Lysine-specific demethylase 4A, ...
著者Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M.
登録日2015-12-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M.
登録日2015-12-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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
5F2S
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Crystal structure of human KDM4A in complex with compound 15
分子名称: 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid, CHLORIDE ION, ...
著者Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M.
登録日2015-12-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献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
分子名称: 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, ...
著者Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M.
登録日2015-12-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献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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BU of 5f3g by Molmil
Crystal structure of human KDM4A in complex with compound 53a
分子名称: 8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M.
登録日2015-12-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: 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, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M.
登録日2015-12-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献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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BU of 5f3e by Molmil
Crystal structure of human KDM4A in complex with compound 54a
分子名称: 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M.
登録日2015-12-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献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
5F5A
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BU of 5f5a by Molmil
Crystal Structure of human JMJD2D complexed with KDOAM16
分子名称: 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ...
著者Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-12-04
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献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
分子名称: 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者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)
登録日2015-12-04
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献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
5FPL
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Crystal structure of human JARID1B in complex with CCT363901
分子名称: 1,2-ETHANEDIOL, 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Srikannathasan, V, Yann-Vai, L.B, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Huber, K, Oppermann, U.
登録日2015-12-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
5F5C
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Crystal Structure of human JMJD2D complexed with KDOPP7
分子名称: 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ...
著者Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-12-04
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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

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