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PDB: 97 件
7RJ8
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BU of 7rj8 by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ...
著者Pokross, M, Muckelbauer, J.
登録日2021-07-20
公開日2022-02-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
5L3R
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BU of 5l3r by Molmil
Structure of the GTPase heterodimer of chloroplast SRP54 and FtsY from Arabidopsis thaliana
分子名称: Cell division protein FtsY homolog, chloroplastic, GLYCEROL, ...
著者Bange, G, Kribelbauer, J, Wild, K, Sinning, I.
登録日2016-05-24
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex.
J.Mol.Biol., 428, 2016
6PCK
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BU of 6pck by Molmil
Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 1-IP7
分子名称: (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
著者Dollins, D.E, Neubauer, J, Dong, J, York, J.D.
登録日2019-06-17
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PCL
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Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 5-IP7
分子名称: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
著者Dollins, D.E, Neubauer, J, Dong, J, York, J.D.
登録日2019-06-17
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling.
Proc.Natl.Acad.Sci.USA, 117, 2020
8DJD
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BU of 8djd by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
分子名称: 2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Muckelbauer, J.K.
登録日2022-06-30
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Structure-activity relationship (SAR) studies on substituted N-(pyridin-3-yl)-2-amino-isonicotinamides as highly potent and selective glycogen synthase kinase-3 (GSK-3) inhibitors.
Bioorg.Med.Chem.Lett., 81, 2023
8DJE
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BU of 8dje by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
分子名称: (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Muckelbauer, J.K.
登録日2022-06-30
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.374 Å)
主引用文献Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
8DJC
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CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
分子名称: (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Muckelbauer, J.K.
登録日2022-06-30
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.463 Å)
主引用文献Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
7UOQ
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BU of 7uoq by Molmil
CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID
分子名称: (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, Integrase, SULFATE ION
著者Lewis, H.A, Muckelbauer, J.K.
登録日2022-04-13
公開日2022-07-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8867 Å)
主引用文献Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor.
Acs Med.Chem.Lett., 13, 2022
8OXI
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BU of 8oxi by Molmil
crystal structure of powdery mildews Blumeria graminis f. sp. tritici AVRPM2(1)
分子名称: BgtE-5845_p
著者Cao, Y, Gebauer, J.M, Baumann, U, Chai, J.J.
登録日2023-05-02
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OXL
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BU of 8oxl by Molmil
crystal structure of powdery mildews Blumeria graminis f. sp. hordei AVRA7
分子名称: AVRA7
著者Cao, Y, Gebauer, J.M, Baumann, U, Chai, J.J.
登録日2023-05-02
公開日2023-08-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors.
Proc.Natl.Acad.Sci.USA, 120, 2023
8PHY
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BU of 8phy by Molmil
crystal structure of powdery mildews Blumeria graminis f. sp. tritici AVRPM2 (2)
分子名称: BgtE-5845_p
著者Cao, Y, Gebauer, J.M, Baumann, U, Chai, J.J.
登録日2023-06-20
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OXK
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BU of 8oxk by Molmil
crystal structure of powdery mildews Blumeria graminis f. sp. hordei AVRA10
分子名称: CSEP0141 putative effector protein
著者Cao, Y, Gebauer, J.M, Baumann, U, Chai, J.J.
登録日2023-05-02
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors.
Proc.Natl.Acad.Sci.USA, 120, 2023
7BEE
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BU of 7bee by Molmil
Crystal structure of a Hsp47-collagen peptide complex
分子名称: 21er collagen model peptide, Collagen-binding protein
著者Abraham, E.T, Gebauer, J.M, Baumann, U.
登録日2020-12-23
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献Collagen's primary structure determines collagen:HSP47 complex stoichiometry.
J.Biol.Chem., 297, 2021
7BDU
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BU of 7bdu by Molmil
Crystal structure of a Hsp47-collagen peptide complex
分子名称: 21er collagen model peptide, Collagen-binding protein
著者Abraham, E.T, Gebauer, J.M, Baumann, U.
登録日2020-12-22
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Collagen's primary structure determines collagen:HSP47 complex stoichiometry.
J.Biol.Chem., 297, 2021
3SXR
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BU of 3sxr by Molmil
Crystal structure of BMX non-receptor tyrosine kinase complex with dasatinib
分子名称: Cytoplasmic tyrosine-protein kinase BMX, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, SULFATE ION
著者Sack, J, Muckelbauer, J.
登録日2011-07-15
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase.
Chem.Biol.Drug Des., 78, 2011
8OXH
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BU of 8oxh by Molmil
crystal structure of powdery mildews Blumeria graminis f. sp. hordei AVRA6
分子名称: AVRA6
著者Cao, Y, Gebauer, J.M, Baumann, U, Chai, J.
登録日2023-05-02
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors.
Proc.Natl.Acad.Sci.USA, 120, 2023
3SXS
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BU of 3sxs by Molmil
Crystal structure of BMX non-receptor tyrosine kinase complexed with PP2
分子名称: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Cytoplasmic tyrosine-protein kinase BMX
著者Sack, J, Muckelbauer, J.
登録日2011-07-15
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase.
Chem.Biol.Drug Des., 78, 2011
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
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
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
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
4AXY
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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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