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PDB: 10 件

5MQV
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BU of 5mqv by Molmil
Crystal structure of human Casein Kinase I delta in complex with 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide
分子名称: 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide, Casein kinase I isoform delta, PHOSPHATE ION
著者Pichlo, C, Brunstein, E, Baumann, U.
登録日2016-12-20
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.154 Å)
主引用文献Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
6F26
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Crystal structure of human Casein Kinase I delta in complex with compound 31b
分子名称: (9~{S},10~{S},11~{R})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide, Casein kinase I isoform delta, SULFATE ION
著者Pichlo, C, Brunstein, E, Baumann, U.
登録日2017-11-23
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24, 2019
6F1W
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BU of 6f1w by Molmil
Crystal structure of human Casein Kinase I delta in complex with compound 31a
分子名称: (9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide, Casein kinase I isoform delta, SULFATE ION
著者Pichlo, C, Brunstein, E, Baumann, U.
登録日2017-11-23
公開日2019-03-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.864 Å)
主引用文献Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24, 2019
5OKT
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BU of 5okt by Molmil
Crystal structure of human Casein Kinase I delta in complex with IWP-2
分子名称: ACETATE ION, Casein kinase I isoform delta, GLYCEROL, ...
著者Pichlo, C, Brunstein, E, Baumann, U.
登録日2017-07-25
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery of Inhibitor of Wnt Production 2 (IWP-2) and Related Compounds As Selective ATP-Competitive Inhibitors of Casein Kinase 1 (CK1) delta / epsilon.
J. Med. Chem., 61, 2018
6HMP
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BU of 6hmp by Molmil
Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azoimidazole-based Inhibitor (compound 3)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, PHOSPHATE ION
著者Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U.
登録日2018-09-12
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
6HMR
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BU of 6hmr by Molmil
Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 2)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, MALONIC ACID
著者Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U.
登録日2018-09-12
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
4AU4
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BU of 4au4 by Molmil
Crystal Structure of Hsp47
分子名称: SERPIN PEPTIDASE INHIBITOR, CLADE H (HEAT SHOCK PROTEIN 47), MEMBER 1, ...
著者Widmer, C, Gebauer, J.M, Brunstein, E, Rodenbaum, S, Zaucke, F, Drogemuller, C, Leeb, T, Baumann, U.
登録日2012-05-14
公開日2012-08-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Molecular Basis for the Action of the Collagen-Specific Chaperone Hsp47/Serpinh1 and its Structure-Specific Client Recognition.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AU3
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BU of 4au3 by Molmil
Crystal Structure of a Hsp47-collagen complex
分子名称: 18ER COLLAGEN MODEL PEPTIDE 15-R8, SERPIN PEPTIDASE INHIBITOR, CLADE H (HEAT SHOCK PROTEIN 47 ), ...
著者Widmer, C, Gebauer, J.M, Brunstein, E, Rodenbaum, S, Zaucke, F, Drogemuller, C, Leeb, T, Baumann, U.
登録日2012-05-14
公開日2012-08-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Molecular Basis for the Action of the Collagen-Specific Chaperone Hsp47/Serpinh1 and its Structure-Specific Client Recognition.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AU2
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BU of 4au2 by Molmil
Crystal Structure of a Hsp47-collagen complex
分子名称: 15ER COLLAGEN MODEL PEPTIDE 15-R8, SERPIN PEPTIDASE INHIBITOR, CLADE H (HEAT SHOCK PROTEIN 47), ...
著者Widmer, C, Gebauer, J.M, Brunstein, E, Drogemuller, C, Leeb, T, Baumann, U.
登録日2012-05-13
公開日2012-08-15
最終更新日2015-04-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Basis for the Action of the Collagen-Specific Chaperone Hsp47/Serpinh1 and its Structure-Specific Client Recognition.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AXY
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BU of 4axy by Molmil
A molecular basis for the action of the collagen-specific chaperone Hsp47-SERPINH1 and its structure-specific client recognition.
分子名称: COLLAGEN-LIKE PEPTIDE
著者Widmer, C, Gebauer, J.M, Brunstein, E, Rosenbaum, S, Zaucke, F, Droegmueller, C, Leeb, T, Baumann, U.
登録日2012-06-15
公開日2012-08-15
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Molecular Basis for the Action of the Collagen-Specific Chaperone Hsp47/Serpinh1 and its Structure-Specific Client Recognition.
Proc.Natl.Acad.Sci.USA, 109, 2012

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件を2024-10-30に公開中

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