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4TN6
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CK1d in complex with inhibitor
分子名称: 4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2014-06-03
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献CK1D IN COMPLEX WITH inhibitor
To Be Published
4RLK
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Crystal structure of Z. mays CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate
分子名称: 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid, ACETATE ION, Casein kinase II subunit alpha, ...
著者Guerra, B, Rasmussen, T.D.L, Schnitzler, A, Jensen, H.H, Boldyreff, B.S, Miyata, Y, Marcussen, N, Niefind, K, Issinger, O.G.
登録日2014-10-17
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Protein kinase CK2 inhibition is associated with the destabilization of HIF-1 alpha in human cancer cells.
Cancer Lett, 356, 2015
2PVK
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Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
登録日2007-05-09
公開日2008-05-13
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
4RVM
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BU of 4rvm by Molmil
CHK1 kinase domain with diazacarbazole compound 19
分子名称: 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
著者Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S.
登録日2014-11-26
公開日2015-06-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4RLP
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BU of 4rlp by Molmil
Human p70s6k1 with ruthenium-based inhibitor FL772
分子名称: CHLORIDE ION, [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium, p70S6K1
著者Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R.
登録日2014-10-17
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
2PMO
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BU of 2pmo by Molmil
Crystal structure of PfPK7 in complex with hymenialdisine
分子名称: 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE, Ser/Thr protein kinase
著者Merckx, A, Echalier, A, Noble, M, Endicott, J.
登録日2007-04-23
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of P. falciparum protein kinase 7 identify an activation motif and leads for inhibitor design.
Structure, 16, 2008
2PHK
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THE CRYSTAL STRUCTURE OF A PHOSPHORYLASE KINASE PEPTIDE SUBSTRATE COMPLEX: KINASE SUBSTRATE RECOGNITION
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
著者Lowe, E.D, Noble, M.E.M, Skamnaki, V.T, Oikonomakos, N.G, Owen, D.J, Johnson, L.N.
登録日1998-06-18
公開日1999-01-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal structure of a phosphorylase kinase peptide substrate complex: kinase substrate recognition.
EMBO J., 16, 1997
4RPV
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BU of 4rpv by Molmil
co-crystal structure of Pim1 with compound 3
分子名称: (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine, Serine/threonine-protein kinase pim-1
著者Huang, X.
登録日2014-10-31
公開日2015-02-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4RQV
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Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS2
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Rettenmaier, T.J, Wells, J.A.
登録日2014-11-05
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RLO
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BU of 4rlo by Molmil
Human p70s6k1 with ruthenium-based inhibitor EM5
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R.
登録日2014-10-17
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.527 Å)
主引用文献Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
4RQK
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Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS1
分子名称: 3-phosphoinositide-dependent protein kinase 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Rettenmaier, T.J, Wells, J.A.
登録日2014-11-03
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
2QC6
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Protein kinase CK2 in complex with DBC
分子名称: 3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE, Casein kinase II subunit alpha
著者Battistutta, R.
登録日2007-06-19
公開日2008-02-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Coumarin as attractive casein kinase 2 (CK2) inhibitor scaffold: an integrate approach to elucidate the putative binding motif and explain structure-activity relationships.
J.Med.Chem., 51, 2008
4TL0
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BU of 4tl0 by Molmil
Crystal structure of death-associated protein kinase 1 with a crucial phosphomimicking mutation
分子名称: AMMONIUM ION, Death-associated protein kinase 1, GLYCEROL, ...
著者Temmerman, K, Simon, B, Wilmanns, M.
登録日2014-05-28
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of death-associated protein kinase 1 with a crucial phosphomimicking mutation
To Be Published
4S31
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Crystal structure of mitogen-activated protein kinase 1 wtERK2 at 1.45A
分子名称: Mitogen-activated protein kinase 1
著者Livnah, O, Karamansha, Y.
登録日2015-01-26
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
2QUR
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BU of 2qur by Molmil
Crystal Structure of F327A/K285P Mutant of cAMP-dependent Protein Kinase
分子名称: 20-mer fragment from cAMP-dependent protein kinase inhibitor alpha, ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase, ...
著者Taylor, S.S, Yang, J, Wu, J.
登録日2007-08-06
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Contribution of non-catalytic core residues to activity and regulation in protein kinase A.
J.Biol.Chem., 284, 2009
4RRV
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BU of 4rrv by Molmil
Crystal structure of PDK1 in complex with ATP and PIFtide
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Rettenmaier, T.J, Wells, J.A.
登録日2014-11-06
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.412 Å)
主引用文献A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RVL
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BU of 4rvl by Molmil
CHK1 kinase domain with diazacarbazole compound 7: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
分子名称: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
著者Wiesmann, C, Wu, P.
登録日2014-11-26
公開日2015-06-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
2QHN
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BU of 2qhn by Molmil
Crystal Structure of Chek1 in Complex with Inhibitor 1a
分子名称: 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE, Serine/threonine-protein kinase Chk1
著者Yan, Y, Munshi, S.
登録日2007-07-02
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2R3O
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BU of 2r3o by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2QG5
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BU of 2qg5 by Molmil
Cryptosporidium parvum calcium dependent protein kinase cgd7_1840
分子名称: Calcium/calmodulin-dependent protein kinase
著者Lunin, V.V, Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Artz, J, Amani, M, Structural Genomics Consortium (SGC)
登録日2007-06-28
公開日2007-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cryptosporidium parvum calcium dependent protein kinase cgd7_1840
To be Published
2R3I
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BU of 2r3i by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2QR7
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2.0A X-ray structure of C-terminal kinase domain of p90 ribosomal S6 kinase 2: Se-Met derivative
分子名称: Ribosomal protein S6 kinase alpha-3, SODIUM ION
著者Malakhova, M, Tereshko, V, Dong, Z.
登録日2007-07-27
公開日2007-12-11
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for activation of the autoinhibitory C-terminal kinase domain of p90 RSK2.
Nat.Struct.Mol.Biol., 15, 2008
4S33
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ERK2 R65S mutant complexed with AMP-PNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Livnah, O, Karamansha, Y, Tzarum, N.
登録日2015-01-26
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
2R3M
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Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: Cell division protein kinase 2, N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3F
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Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008

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