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PDB: 48 件
4WIH
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Crystal structure of cAMP-dependent Protein Kinase A from Cricetulus griseus
分子名称: cAMP Dependent Protein Kinase Inhibitor PKI-tide, cAMP-dependent protein kinase catalytic subunit alpha
著者Kudlinzki, D, Linhard, V.L, Saxena, K, Dreyer, M, Schwalbe, H.
登録日2014-09-25
公開日2014-10-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.139 Å)
主引用文献High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus.
Acta Crystallogr.,Sect.F, 71, 2015
6EM7
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BU of 6em7 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ADP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, UPF0418 protein FAM164A, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-10-01
公開日2018-10-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.238 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6ESA
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BU of 6esa by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and AMP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, beta-D-ribopyranose, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-10-19
公開日2018-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5N7U
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BU of 5n7u by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-Bromo-3,5-dimethyl-1H-pyrazole
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-bromanyl-3,5-dimethyl-1~{H}-pyrazole, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-21
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.371 Å)
主引用文献A crystallographic study with cAMP-dependent protein kinase A
to be published
5N3A
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BU of 5n3a by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-amine
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, DIMETHYL SULFOXIDE, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.404 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1N
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BU of 5n1n by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-chloro-9-propan-2-ylpurine
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-chloranyl-9-methyl-purine, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-06
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.405 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N33
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BU of 5n33 by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one, DIMETHYL SULFOXIDE, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.434 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
5N1M
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cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule (5-chloro-2-methoxyphenyl)methanamine
分子名称: (4-methoxy-3-oxidanyl-phenyl)methylazanium, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-06
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.436 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N39
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cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrrolidine
分子名称: (2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5OUC
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BU of 5ouc by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp190
分子名称: CHLORIDE ION, [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, beta-D-ribopyranose, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-08-23
公開日2018-09-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp190
To be published
5N1L
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BU of 5n1l by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2,5-dimethyl-N-pyridin-4-ylfuran-3-carboxamide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-06
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.489 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5O0E
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BU of 5o0e by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and Fasudil
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, RKp120, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-05-16
公開日2018-05-30
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5N7P
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BU of 5n7p by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-azanyl-3-pyrrolidin-1-yl-1~{H}-pyrazole-4-carbonitrile, cAMP dependent protein kinase inhibitor alpha-like protein, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-21
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To be published
5N1E
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BU of 5n1e by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-06
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3E
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BU of 5n3e by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 6-dimethylaminopyridine-3-carboxylic acid
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(dimethylamino)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
5NTJ
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BU of 5ntj by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, beta-D-ribopyranose, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-04-28
公開日2018-05-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
To Be Published
5OL3
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BU of 5ol3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp117
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-07-26
公開日2018-08-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5N36
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BU of 5n36 by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3H-isoindol-2-ium-1-amine
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1H-isoindol-3-amine, cAMP dependent protein kinase inhibitor alpha-like protein, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5O5M
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BU of 5o5m by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp117
分子名称: CHLORIDE ION, RKp120, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-06-02
公開日2018-06-13
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.583 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5OK3
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BU of 5ok3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp241 and Fasudil
分子名称: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-07-25
公開日2018-08-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.588 Å)
主引用文献Diamondoid Amino Acid-Based Peptide Kinase A Inhibitor Analogues.
Chemmedchem, 14, 2019
5N37
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cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium, DIMETHYL SULFOXIDE, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1D
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BU of 5n1d by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-methyl-1-(5-pyridin-3-yloxyfuran-2-yl)methanamine
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (5-pyridin-3-yloxyfuran-2-yl)methanamine, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-06
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.609 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
6EM6
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BU of 6em6 by Molmil
Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, UPF0418 protein FAM164A, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-10-01
公開日2018-10-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5N3B
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BU of 5n3b by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-(pyridin-3-yl)ethanamine
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-pyridin-3-ylethylazanium, cAMP dependent protein kinase inhibitor alpha-like protein, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5OUA
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BU of 5oua by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp017
分子名称: beta-D-ribopyranose, cAMP dependent protein kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-08-23
公開日2018-09-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019

 

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