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6V6L
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BU of 6v6l by Molmil
Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one
Descriptor: 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION
Authors:Bussiere, D.E, Fang, E, Shu, W.
Deposit date:2019-12-05
Release date:2020-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery and optimization of novel pyridines as highly potent and selective glycogen synthase kinase 3 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6Q2A
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BU of 6q2a by Molmil
Trypanosoma brucei CLK1 kinase domain in complex with a covalent aminobenzimidazole inhibitor AB1
Descriptor: Protein kinase, putative, SULFATE ION, ...
Authors:Ma, X, Ornelas, E.
Deposit date:2019-08-07
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Targeting the trypanosome kinetochore with CLK1 protein kinase inhibitors.
Nat Microbiol, 5, 2020
2GU8
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BU of 2gu8 by Molmil
Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies
Descriptor: CAMP-dependent protein kinase, alpha-catalytic subunit, N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE, ...
Authors:Murray, J.M.
Deposit date:2006-04-28
Release date:2007-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies
Bioorg.Med.Chem.Lett., 16, 2006
6B8J
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BU of 6b8j by Molmil
Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor
Descriptor: CHIR99021, GLYCEROL, Glycogen synthase kinase-3 beta, ...
Authors:Bussiere, D.E.
Deposit date:2017-10-08
Release date:2017-11-08
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3.
J. Med. Chem., 60, 2017
6DFL
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BU of 6dfl by Molmil
WaaP in complex with acyl carrier protein
Descriptor: Acyl carrier protein, Lipopolysaccharide core heptose(I) kinase RfaP, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
Authors:Chopra, R, Vash, B.
Deposit date:2018-05-15
Release date:2019-04-03
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Acylated-acyl carrier protein stabilizes the Pseudomonas aeruginosa WaaP lipopolysaccharide heptose kinase.
Sci Rep, 8, 2018
2GDO
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BU of 2gdo by Molmil
4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors
Descriptor: 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1
Authors:Le, V, Dove, J, Fang, E, Bussiere, D.E.
Deposit date:2006-03-16
Release date:2007-03-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006

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