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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
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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BU of 6f26 by Molmil
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
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
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
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2012-08-29
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
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
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
3EED
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BU of 3eed by Molmil
Crystal structure of human protein kinase CK2 regulatory subunit (CK2beta; mutant 1-193)
分子名称: Casein kinase II subunit beta, SULFATE ION, ZINC ION
著者Niefind, K, Raaf, J, Issinger, O.-G.
登録日2008-09-04
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The interaction of CK2{alpha} and CK2{beta}, the subunits of protein kinase CK2, requires CK2{beta} in a preformed conformation and is enthalpically driven
Protein Sci., 17, 2008
4WW0
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BU of 4ww0 by Molmil
Truncated FtsH from A. aeolicus
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH, ZINC ION
著者Vostrukhina, M, Baumann, U, Schacherl, M, Bieniossek, C, Lanz, M, Baumgartner, R.
登録日2014-11-09
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献The structure of Aquifex aeolicus FtsH in the ADP-bound state reveals a C2-symmetric hexamer.
Acta Crystallogr.,Sect.D, 71, 2015
4Z8X
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BU of 4z8x by Molmil
Truncated FtsH from A. aeolicus
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH, SULFATE ION, ...
著者Vostrukhina, M, Baumann, U, Schacherl, M, Bieniossek, C, Lanz, M, Baumgartner, R.
登録日2015-04-09
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献The structure of Aquifex aeolicus FtsH in the ADP-bound state reveals a C2-symmetric hexamer.
Acta Crystallogr.,Sect.D, 71, 2015
4NFU
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BU of 4nfu by Molmil
Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, EDS1, ISOPROPYL ALCOHOL, ...
著者Wagner, S, Stuttmann, J, Rietz, S, Guerois, R, Niefind, K, Parker, J.E.
登録日2013-11-01
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity.
Cell Host Microbe, 14, 2013
7BFI
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BU of 7bfi by Molmil
A double-histidine mutant of HSP47 slows down client release at low pH
分子名称: 15R8 collagen model peptide, Collagen-binding protein
著者Oecal, S, Baumann, U.
登録日2021-01-03
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Collagen's primary structure determines collagen:HSP47 complex stoichiometry.
J.Biol.Chem., 297, 2021
5D88
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BU of 5d88 by Molmil
The Structure of the U32 Peptidase Mk0906
分子名称: ACETATE ION, Predicted protease of the collagenase family, ZINC ION
著者Baumann, U, Schacherl, M, Monatda, A.A.M.
登録日2015-08-15
公開日2015-12-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The first crystal structure of the peptidase domain of the U32 peptidase family.
Acta Crystallogr.,Sect.D, 71, 2015
5ML5
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BU of 5ml5 by Molmil
Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Buehrmann, M, Rauh, D.
登録日2016-12-06
公開日2017-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 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
3H30
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BU of 3h30 by Molmil
Crystal structure of the catalytic subunit of human protein kinase CK2 with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole
分子名称: 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, CHLORIDE ION, Casein kinase II subunit alpha
著者Niefind, K, Raaf, J, Issinger, O.-G.
登録日2009-04-15
公開日2009-05-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The CK2alpha/CK2beta Interface of Human Protein Kinase CK2 Harbors a Binding Pocket for Small Molecules
Chem.Biol., 15, 2008
3JUH
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BU of 3juh by Molmil
Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate specificity
分子名称: CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ...
著者Niefind, K, Issinger, O.-G.
登録日2009-09-15
公開日2009-10-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate
J.Mol.Biol., 347, 2005
6Q6Z
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BU of 6q6z by Molmil
Structure of the plant immune signaling node EDS1 (enhanced disease susceptibility 1) in complex with nanobody ENB21
分子名称: EDS1-SPECIFIC NANOBODY, Protein EDS1L
著者Niefind, K, Voss, M, Toelzer, C.
登録日2018-12-12
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.476 Å)
主引用文献Arabidopsis immunity regulator EDS1 in a PAD4/SAG101-unbound form is a monomer with an inherently inactive conformation.
J.Struct.Biol., 208, 2019
3ZHA
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BU of 3zha by Molmil
Molecular basis for the action of the collagen-specific chaperone Hsp47 SERPINH1 and its structure-specific client recognition.
分子名称: COLLAGEN MODEL PEPTIDE 18-T8R11, HSP47, SUCCINIC ACID
著者Widmer, C, Gebauer, J.M, Baumann, U.
登録日2012-12-20
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 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
6HWU
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BU of 6hwu by Molmil
Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-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, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 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
6HWT
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BU of 6hwt by Molmil
Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 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
6HWV
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Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-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, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 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
3FWQ
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Inactive conformation of human protein kinase CK2 catalytic subunit
分子名称: CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ...
著者Niefind, K, Raaf, J, Issinger, O.G.
登録日2009-01-19
公開日2009-02-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献First inactive conformation of CK2 alpha, the catalytic subunit of protein kinase CK2
J.Mol.Biol., 386, 2009

 

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