5OKT
 
 | | Crystal structure of human Casein Kinase I delta in complex with IWP-2 | | Descriptor: | ACETATE ION, Casein kinase I isoform delta, GLYCEROL, ... | | Authors: | Pichlo, C, Brunstein, E, Baumann, U. | | Deposit date: | 2017-07-25 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | 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
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5MQV
 | | 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 | | Descriptor: | 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 | | Authors: | Pichlo, C, Brunstein, E, Baumann, U. | | Deposit date: | 2016-12-20 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.154 Å) | | Cite: | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
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6HMR
 | | Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 2) | | Descriptor: | 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 | | Authors: | Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U. | | Deposit date: | 2018-09-12 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.782 Å) | | Cite: | 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
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6F26
 | | Crystal structure of human Casein Kinase I delta in complex with compound 31b | | Descriptor: | (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 | | Authors: | Pichlo, C, Brunstein, E, Baumann, U. | | Deposit date: | 2017-11-23 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24, 2019
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6F1W
 | | Crystal structure of human Casein Kinase I delta in complex with compound 31a | | Descriptor: | (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 | | Authors: | Pichlo, C, Brunstein, E, Baumann, U. | | Deposit date: | 2017-11-23 | | Release date: | 2019-03-13 | | Method: | X-RAY DIFFRACTION (1.864 Å) | | Cite: | Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24, 2019
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6HMP
 | | Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azoimidazole-based Inhibitor (compound 3) | | Descriptor: | 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 | | Authors: | Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U. | | Deposit date: | 2018-09-12 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.039 Å) | | Cite: | 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
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4AXY
 | | A molecular basis for the action of the collagen-specific chaperone Hsp47-SERPINH1 and its structure-specific client recognition. | | Descriptor: | COLLAGEN-LIKE PEPTIDE | | Authors: | Widmer, C, Gebauer, J.M, Brunstein, E, Rosenbaum, S, Zaucke, F, Droegmueller, C, Leeb, T, Baumann, U. | | Deposit date: | 2012-06-15 | | Release date: | 2012-08-15 | | Last modified: | 2015-10-28 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | 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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4AU3
 | | Crystal Structure of a Hsp47-collagen complex | | Descriptor: | 18ER COLLAGEN MODEL PEPTIDE 15-R8, SERPIN PEPTIDASE INHIBITOR, CLADE H (HEAT SHOCK PROTEIN 47 ), ... | | Authors: | Widmer, C, Gebauer, J.M, Brunstein, E, Rodenbaum, S, Zaucke, F, Drogemuller, C, Leeb, T, Baumann, U. | | Deposit date: | 2012-05-14 | | Release date: | 2012-08-15 | | Last modified: | 2012-08-29 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | 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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4AU4
 | | Crystal Structure of Hsp47 | | Descriptor: | SERPIN PEPTIDASE INHIBITOR, CLADE H (HEAT SHOCK PROTEIN 47), MEMBER 1, ... | | Authors: | Widmer, C, Gebauer, J.M, Brunstein, E, Rodenbaum, S, Zaucke, F, Drogemuller, C, Leeb, T, Baumann, U. | | Deposit date: | 2012-05-14 | | Release date: | 2012-08-15 | | Last modified: | 2012-08-29 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | 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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4AU2
 | | Crystal Structure of a Hsp47-collagen complex | | Descriptor: | 15ER COLLAGEN MODEL PEPTIDE 15-R8, SERPIN PEPTIDASE INHIBITOR, CLADE H (HEAT SHOCK PROTEIN 47), ... | | Authors: | Widmer, C, Gebauer, J.M, Brunstein, E, Drogemuller, C, Leeb, T, Baumann, U. | | Deposit date: | 2012-05-13 | | Release date: | 2012-08-15 | | Last modified: | 2015-04-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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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4WW0
 | | Truncated FtsH from A. aeolicus | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH, ZINC ION | | Authors: | Vostrukhina, M, Baumann, U, Schacherl, M, Bieniossek, C, Lanz, M, Baumgartner, R. | | Deposit date: | 2014-11-09 | | Release date: | 2015-05-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | The structure of Aquifex aeolicus FtsH in the ADP-bound state reveals a C2-symmetric hexamer.
Acta Crystallogr.,Sect.D, 71, 2015
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4NFU
 | | Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, EDS1, ISOPROPYL ALCOHOL, ... | | Authors: | Wagner, S, Stuttmann, J, Rietz, S, Guerois, R, Niefind, K, Parker, J.E. | | Deposit date: | 2013-11-01 | | Release date: | 2013-12-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity.
Cell Host Microbe, 14, 2013
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4Z8X
 | | Truncated FtsH from A. aeolicus | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH, SULFATE ION, ... | | Authors: | Vostrukhina, M, Baumann, U, Schacherl, M, Bieniossek, C, Lanz, M, Baumgartner, R. | | Deposit date: | 2015-04-09 | | Release date: | 2015-05-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | The structure of Aquifex aeolicus FtsH in the ADP-bound state reveals a C2-symmetric hexamer.
Acta Crystallogr.,Sect.D, 71, 2015
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5D88
 | | The Structure of the U32 Peptidase Mk0906 | | Descriptor: | ACETATE ION, Predicted protease of the collagenase family, ZINC ION | | Authors: | Baumann, U, Schacherl, M, Monatda, A.A.M. | | Deposit date: | 2015-08-15 | | Release date: | 2015-12-02 | | Last modified: | 2016-07-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | The first crystal structure of the peptidase domain of the U32 peptidase family.
Acta Crystallogr.,Sect.D, 71, 2015
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7BFI
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3H30
 | | Crystal structure of the catalytic subunit of human protein kinase CK2 with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole | | Descriptor: | 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Niefind, K, Raaf, J, Issinger, O.-G. | | Deposit date: | 2009-04-15 | | Release date: | 2009-05-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The CK2alpha/CK2beta Interface of Human Protein Kinase CK2 Harbors a Binding Pocket for Small Molecules
Chem.Biol., 15, 2008
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3EED
 | | Crystal structure of human protein kinase CK2 regulatory subunit (CK2beta; mutant 1-193) | | Descriptor: | Casein kinase II subunit beta, SULFATE ION, ZINC ION | | Authors: | Niefind, K, Raaf, J, Issinger, O.-G. | | Deposit date: | 2008-09-04 | | Release date: | 2008-09-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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
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5ML5
 | | Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b | | Descriptor: | 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 | | Authors: | Buehrmann, M, Rauh, D. | | Deposit date: | 2016-12-06 | | Release date: | 2017-04-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
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6HWU
 | | Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2) | | Descriptor: | 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 | | Authors: | Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-15 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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6HWT
 | | Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31) | | Descriptor: | 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 | | Authors: | Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-15 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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
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3ZHA
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6HWV
 | | Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3) | | Descriptor: | 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 | | Authors: | Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-15 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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
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6Q6Z
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3JUH
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3FWQ
 | | Inactive conformation of human protein kinase CK2 catalytic subunit | | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Raaf, J, Issinger, O.G. | | Deposit date: | 2009-01-19 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | First inactive conformation of CK2 alpha, the catalytic subunit of protein kinase CK2
J.Mol.Biol., 386, 2009
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