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4S2Z
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ERK2 Intrinsically active mutant R65S
分子名称: Mitogen-activated protein kinase 1
著者Livnah, O, Karamansha, Y.
登録日2015-01-25
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
4RLL
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BU of 4rll by Molmil
Crystal structure of human 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, Casein kinase II subunit alpha, GLYCEROL
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 (1.85 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
4S34
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ERK2 (I84A) in complex 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 (2.5 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
4RVT
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MAP4K4 in complex with a pyridin-2(1H)-one derivative
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4
著者Richters, A, Becker, C, Kleine, S, Rauh, D.
登録日2014-11-27
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4.
Angew.Chem.Int.Ed.Engl., 54, 2015
4S32
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Crystal structure of ERK2 AMP-PNP complex
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 (1.34 Å)
主引用文献Crystal structure of ERK2 AMP-PNP complex
To be Published
4S30
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ERK2 intrinsically active mutant (I84A)
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 (2 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
4TN6
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BU of 4tn6 by Molmil
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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BU of 4rlk by Molmil
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
4RVM
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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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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
6JGM
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BU of 6jgm by Molmil
Crystal structure of CDK2 IN complex with Inhibitor NU-6140
分子名称: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Cyclin-dependent kinase 2
著者SumalathaRani, T, Narasimharao, K.
登録日2019-02-14
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of CDK2 IN complex with Inhibitor NU-6140
To Be Published
4RPV
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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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BU of 4rqv by Molmil
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
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
6JKM
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BU of 6jkm by Molmil
Crystal structure of BubR1 kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
登録日2019-03-01
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
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
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
6JLR
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BU of 6jlr by Molmil
Crystal structure of wild type MNK2 in complex with inhibitor
分子名称: 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2
著者Baburajendran, N, Hill, J.
登録日2019-03-06
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2.
J.Med.Chem., 63, 2020
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
4TWC
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BU of 4twc by Molmil
2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4- carboxamide derivatives as potent inhibitors of CK1d/e
分子名称: 2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide, Casein kinase I isoform delta, DIMETHYL SULFOXIDE, ...
著者Bischof, J, Leban, L, Zaja, M, Grothey, A, Radunsky, B, Othersen, O, Strobl, S, Vitt, D, Knippschild, U.
登録日2014-06-30
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4-carboxamide derivatives as potent inhibitors of CK1d/e.
Amino Acids, 43, 2012
6JKK
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Crystal structure of BubR1 kinase domain
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1
著者Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
登録日2019-03-01
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
4TXC
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BU of 4txc by Molmil
Crystal Structure of DAPK1 kinase domain in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 4-(3-{3-[(R)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol, Death-associated protein kinase 1
著者Sorrell, F.J, Krojer, T, Wilbek, T.S, Skovgaard, T, Berthelsen, J, Dixon-Clarke, S, Chalk, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Stromgaard, K, Knapp, S.
登録日2014-07-03
公開日2014-07-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Identification and characterization of a small-molecule inhibitor of death-associated protein kinase 1.
Chembiochem, 16, 2015

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