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PDB: 48 results
6I2H
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BU of 6i2h by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190
Descriptor: CHLORIDE ION, UPF0418 protein FAM164A, [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190
To be published
5N3F
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BU of 5n3f by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-[3-(aminomethyl)phenyl]acetamide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-[3-(aminomethyl)phenyl]acetamide, cAMP dependent protein kinase inhibitor alpha-like protein, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5OTG
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BU of 5otg by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp190
Descriptor: [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-08-21
Release date:2018-09-05
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp190
To be published
6EGW
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BU of 6egw by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp017 and RKp117
Descriptor: [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, alpha-D-ribofuranose, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-09-12
Release date:2018-10-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6I2A
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BU of 6i2a by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and Fasudil
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6EH2
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BU of 6eh2 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and AMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-09-12
Release date:2018-10-10
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5N3D
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BU of 5n3d by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-(trifluoromethyl)benzenecarboximidamide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
5N3C
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BU of 5n3c by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule Thiophene-3-Carboximidamide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, [azanyl(thiophen-3-yl)methylidene]azanium, cAMP dependent protein kinase inhibitor alpha-like protein, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
6ERT
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BU of 6ert by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193 and RKp117
Descriptor: [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5N1O
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BU of 5n1o by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-chloro-4-(chloromethyl)-5-hydroxyphenyl)ethan-1-one
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1K
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BU of 5n1k by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-amino-1-(4-fluorophenyl)ethanol
Descriptor: (1S)-2-amino-1-(4-fluorophenyl)ethanol, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
6I2C
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BU of 6i2c by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and Fasudil
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5N32
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BU of 5n32 by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-chlorobenzyl carbamimidothioate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, [azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
6EMA
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BU of 6ema by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, beta-D-ribopyranose, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-01
Release date:2018-10-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6ERW
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BU of 6erw by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and Fasudil
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6I2D
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BU of 6i2d by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp117
Descriptor: UPF0418 protein FAM164A, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6EH3
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BU of 6eh3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp190
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, ~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-09-12
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp190
To be published
6I2B
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BU of 6i2b by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and RKp117
Descriptor: UPF0418 protein FAM164A, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Last modified:2021-03-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5OT3
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BU of 5ot3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp117
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-08-19
Release date:2018-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6ERV
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BU of 6erv by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5NW8
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BU of 5nw8 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and Fasudil
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-05-05
Release date:2018-05-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.086 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6ERU
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BU of 6eru by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp120
Descriptor: UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2020-07-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5OUS
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BU of 5ous by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-08-24
Release date:2018-09-05
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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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数据于2024-07-31公开中

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