Author results

5N5L
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CRYSTAL STRUCTURE OF HUMAN PIM-1 KINASE IN COMPLEX WITH A CONSENSUSPEPTIDE AND [2-OXO-2-(1H-PYRROL-2-YL)ETHYL] 5-BROMO-1H-INDOLE-3-CARBOXYLATE
Descriptor:Serine/threonine-protein kinase pim-1, Pimtide, 5-bromanyl-1~{H}-indole-3-carboxylic acid, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-14
Release date:2018-03-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N5M
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CRYSTAL STRUCTURE OF HUMAN PIM-1 KINASE IN COMPLEX WITH A CONSENSUSPEPTIDE AND (R)-3-(2-((ISOQUINOLIN-5-YLMETHYL)(METHYL)CARBAMOYL)PHENYL)PYRROLIDIN-1-IUM
Descriptor:Serine/threonine-protein kinase pim-1, Pimtide, ~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-14
Release date:2018-03-07
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5MHI
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE (5-CHLORO-2-METHOXYPHENYL)METHANAMINE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha-like protein, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2016-11-24
Release date:2017-12-20
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5MZL
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CRYSTAL STRUCTURE OF HUMAN PIM-1 KINASE IN COMPLEX WITH A CONSENSUSPEPTIDE AND FRAGMENT LIKE MOLEKULE N-QUINOLIN-5-YLPYRIDINE-3-CARBOXAMIDE
Descriptor:Serine/threonine-protein kinase pim-1, Pimtide, ~{N}-quinolin-5-ylpyridine-3-carboxamide, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-01
Release date:2018-02-14
Method:X-RAY DIFFRACTION (1.955 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N1D
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE N-METHYL-1-(5-PYRIDIN-3-YLOXYFURAN-2-YL)METHANAMINE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha-like protein, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.609 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1E
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE N-(1,3-BENZODIOXOL-5-YL)-2-PIPERIDIN-1-YLACETAMIDE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-14
Method:X-RAY DIFFRACTION (1.529 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1F
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE N-QUINOLIN-5-YLPYRIDINE-3-CARBOXAMIDE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, (4S)-2-METHYL-2,4-PENTANEDIOL, ~{N}-quinolin-5-ylpyridine-3-carboxamide
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1G
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE 4-(2-AMINO-1,3-THIAZOL-4-YL)-1-OXASPIRO[4.5]DECAN-2-ONE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1H
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE METHYL 4-(AMINOMETHYL)BENZOATE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, (4S)-2-METHYL-2,4-PENTANEDIOL, (4-methoxycarbonylphenyl)methylazanium
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1K
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE 2-AMINO-1-(4-FLUOROPHENYL)ETHANOL
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha-like protein, (1S)-2-amino-1-(4-fluorophenyl)ethanol, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1L
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE 2,5-DIMETHYL-N-PYRIDIN-4-YLFURAN-3-CARBOXAMIDE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha-like protein, 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1M
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE (5-CHLORO-2-METHOXYPHENYL)METHANAMINE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha-like protein, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.436 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1N
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE 2-CHLORO-9-PROPAN-2-YLPURINE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha-like protein, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1O
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE 2-CHLORO-4-(CHLOROMETHYL)-5-HYDROXYPHENYL)ETHAN-1-ONE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha-like protein, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N32
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE 4-CHLOROBENZYL CARBAMIMIDOTHIOATE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha-like protein, [azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N33
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE 3-AMINO-5-(TRIFLUOROMETHYL)-1H-PYRIDIN-2-ONE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha-like protein, 3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.434 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N36
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE 3H-ISOINDOL-2-IUM-1-AMINE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP dependent protein kinase inhibitor alpha-like protein, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
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
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.589 Å)
Cite: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
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha-like protein, (2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3A
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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
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP dependent protein kinase inhibitor alpha-like protein, DIMETHYL SULFOXIDE, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.404 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3B
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE 2-(PYRIDIN-3-YL)ETHANAMINE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP dependent protein kinase inhibitor alpha-like protein, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3C
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE THIOPHENE-3-CARBOXIMIDAMIDE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP dependent protein kinase inhibitor alpha-like protein, [azanyl(thiophen-3-yl)methylidene]azanium, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3D
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE 4-(TRIFLUOROMETHYL)BENZENECARBOXIMIDAMIDE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha-like protein, [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3E
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE 6-DIMETHYLAMINOPYRIDINE-3-CARBOXYLIC ACID
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, 6-(dimethylamino)pyridine-3-carboxylic acid, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-08
Release date:2018-03-21
Method:X-RAY DIFFRACTION (1.529 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3F
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CAMP-DEPENDENT PROTEIN KINASE A FROM CRICETULUS GRISEUS IN COMPLEX WITH FRAGMENT LIKE MOLECULE N-[3-(AMINOMETHYL)PHENYL]ACETAMIDE
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP dependent protein kinase inhibitor alpha-like protein, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C., Heine, A., Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
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