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5LCQ
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BU of 5lcq by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative (Ligand 05)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.423 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCR
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BU of 5lcr by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.565 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
6SQ1
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BU of 6sq1 by Molmil
Crystal structure of cAMP-dependent Protein Kinase A (CHO PKA) in complex with Aminofasudil
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, DIMETHYL SULFOXIDE, ...
Authors:Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
Deposit date:2019-09-03
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A crystallographic study of cAMP-dependent Protein Kinase A in complex with different Fasudil-derivatives
To Be Published
6Y2O
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BU of 6y2o by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 1,7-Naphthyridin-8-amine and PKI (5-24)
Descriptor: 1,7-naphthyridin-8-amine, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-02-17
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
6Y8C
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BU of 6y8c by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with ATP and PKI (5-24)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, DIMETHYL SULFOXIDE, ...
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-03-04
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A crystallographic study of cAMP-dependent protein kinase A in complex with different Fasudil-derivatives
To Be Published
6Y2U
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BU of 6y2u by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with aminofasudil and PKI (5-24)
Descriptor: 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G.
Deposit date:2020-02-17
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
6Y89
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BU of 6y89 by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with Methyl 5-isoquinolinecarboxylate and PKI (5-24)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, METHANOL, ...
Authors:Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G.
Deposit date:2020-03-04
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
6YOU
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BU of 6you by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with Pyrido[3,2-d]pyrimidin-4-amine (soaked)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, pyrido[3,2-d]pyrimidin-4-amine
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
6YOT
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BU of 6yot by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with N,N-dimethylisoquinoline-5-sulfonamide and PKI (5-24)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N},~{N}-dimethylisoquinoline-5-sulfonamide
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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