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6GUC
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BU of 6guc by Molmil
CDK2/CyclinA in complex with SU9516
分子名称: (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, Cyclin-A2, Cyclin-dependent kinase 2
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GUE
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CDK2/CyclinA in complex with AZD5438
分子名称: 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
4YZD
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BU of 4yzd by Molmil
Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Concha, N.O.
登録日2015-03-24
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
4ZHX
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BU of 4zhx by Molmil
Novel binding site for allosteric activation of AMPK
分子名称: (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2, ...
著者Langendorf, C.G, Ngoei, K.R, Issa, S.M.A, Ling, N, Gorman, M.A, Parker, M.W, Sakamoto, K, Scott, J.W, Oakhill, J.S, Kemp, B.E.
登録日2015-04-27
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.
Nat Commun, 7, 2016
5ACB
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BU of 5acb by Molmil
Crystal Structure of the Human Cdk12-Cyclink Complex
分子名称: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
著者Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2015-08-14
公開日2016-06-15
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
4Z7H
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BU of 4z7h by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine compound 3
分子名称: 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Joshi, A, Bayliss, R.
登録日2015-04-07
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
4YZB
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BU of 4yzb by Molmil
CDPK1 from Eimeria tenella in complex with inhibitor UW1521
分子名称: 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine, CALCIUM ION, Calmodulin-like domain protein kinase
著者Merritt, E.A.
登録日2015-03-24
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4Z7G
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Crystal structure of human IRE1 cytoplasmic kinase-RNase region - apo
分子名称: SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Bayliss, R, Joshi, A.
登録日2015-04-07
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
5BNJ
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BU of 5bnj by Molmil
CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin- 4-yl}-2,8-diaza-spiro[4.5]decan-1-one
分子名称: 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Musil, D, Blagg, J, Wienke, D.
登録日2015-05-26
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Nat.Chem.Biol., 11, 2015
5CEI
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BU of 5cei by Molmil
Crystal structure of CDK8:Cyclin C complex with compound 22
分子名称: 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ...
著者Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T.
登録日2015-07-06
公開日2016-02-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells.
Acs Med.Chem.Lett., 7, 2016
5CYI
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CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300)
分子名称: 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
著者Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J.
登録日2015-07-30
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015
5CZO
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BU of 5czo by Molmil
Structure of S. cerevisiae Hrr25:Mam1 complex, form 2
分子名称: Casein kinase I homolog HRR25, Monopolin complex subunit MAM1, ZINC ION
著者Ye, Q, Corbett, K.D.
登録日2015-07-31
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.894 Å)
主引用文献Structure of the Saccharomyces cerevisiae Hrr25:Mam1 monopolin subcomplex reveals a novel kinase regulator.
Embo J., 35, 2016
3UZT
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BU of 3uzt by Molmil
Structure of the C13.18 RNA Aptamer in Complex with G Protein-Coupled Receptor Kinase 2
分子名称: Beta-adrenergic receptor kinase 1, C13.18 RNA Aptamer, MAGNESIUM ION
著者Tesmer, J.J.G, Tesmer, V.M.
登録日2011-12-07
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Molecular mechanism for inhibition of g protein-coupled receptor kinase 2 by a selective RNA aptamer.
Structure, 20, 2012
3WF6
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BU of 3wf6 by Molmil
Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine
分子名称: 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION
著者Niwa, H, Shirouzu, M, Yokoyama, S.
登録日2013-07-17
公開日2014-08-06
最終更新日2014-10-29
実験手法X-RAY DIFFRACTION (2.031 Å)
主引用文献Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
3WF7
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BU of 3wf7 by Molmil
Crystal structure of S6K1 kinase domain in complex with a purine derivative 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
分子名称: 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide, GLYCEROL, Ribosomal protein S6 kinase beta-1, ...
著者Niwa, H, Shirouzu, M, Yokoyama, S.
登録日2013-07-17
公開日2014-08-06
最終更新日2014-10-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
3WF5
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Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
分子名称: 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION
著者Niwa, H, Shirouzu, M, Yokoyama, S.
登録日2013-07-17
公開日2014-08-06
最終更新日2014-10-29
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
3WF8
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Crystal structure of S6K1 kinase domain in complex with a quinoline derivative 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
分子名称: 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate, GLYCEROL, Ribosomal protein S6 kinase beta-1, ...
著者Niwa, H, Shirouzu, M, Yokoyama, S.
登録日2013-07-17
公開日2014-08-06
最終更新日2014-10-29
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
3ZHP
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Human MST3 (STK24) in complex with MO25beta
分子名称: CALCIUM-BINDING PROTEIN 39-LIKE, SERINE/THREONINE-PROTEIN KINASE 24, SULFATE ION
著者Elkins, J.M, Szklarz, M, Krojer, T, Mehellou, Y, Alessi, D.R, Chaikaud, A, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
登録日2012-12-24
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Insights Into the Activation of Mst3 by Mo25.
Biochem.Biophys.Res.Commun., 431, 2013
3ZH8
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A novel small molecule aPKC inhibitor
分子名称: (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Kjaer, S, Purkiss, A.G, Kostelecky, B, Knowles, P.P, Soriano, E, Murray-Rust, J, McDonald, N.Q.
登録日2012-12-20
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.739 Å)
主引用文献Adenosine-Binding Motif Mimicry and Cellular Effects of a Thieno[2,3-D]Pyrimidine-Based Chemical Inhibitor of Atypical Protein Kinase C Isozymes.
Biochem.J., 451, 2013
3WE4
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Crystal structure of S6K1 kinase domain in complex with a pyrimidine derivative PF-4708671 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole
分子名称: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, Ribosomal protein S6 kinase beta-1, ZINC ION
著者Niwa, H, Shirouzu, M, Yokoyama, S.
登録日2013-06-29
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
3V51
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Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
分子名称: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-15
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5P
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Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
分子名称: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-16
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UPX
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Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300
分子名称: Calmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone
著者Merritt, E.A, Larson, E.T.
登録日2011-11-18
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UZS
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Structure of the C13.28 RNA Aptamer Bound to the G Protein-Coupled Receptor Kinase 2-Heterotrimeric G Protein Beta 1 and Gamma 2 Subunit Complex
分子名称: Beta-adrenergic receptor kinase 1, C13.28 RNA Aptamer, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Tesmer, J.J.G, Tesmer, V.M.
登録日2011-12-07
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.52 Å)
主引用文献Molecular mechanism for inhibition of g protein-coupled receptor kinase 2 by a selective RNA aptamer.
Structure, 20, 2012
3ZTX
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Aurora kinase selective inhibitors identified using a Taxol-induced checkpoint sensitivity screen.
分子名称: 2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A
著者Kwiatkowski, N, Villa, F, Musacchio, A, Gray, N.
登録日2011-07-12
公開日2012-02-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selective Aurora Kinase Inhibitors Identified Using a Taxol- Induced Checkpoint Sensitivity Screen.
Acs Chem.Biol., 7, 2012

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