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5Z33
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Crystal structure of Mitogen-activated Protein Kinase Mps1 in Magnaporthe oryzae
分子名称: Mitogen-activated protein kinase
著者Zhou, F, Liu, J.F, Zhang, G.Z.
登録日2018-01-05
公開日2019-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structure of Mitogen-activated Protein Kinase Mps1 in Magnaporthe oryzae
To Be Published
5ZN0
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Joint X-ray/neutron structure of protein kinase ck2 alpha subunit
分子名称: Casein kinase II subunit alpha, SULFATE ION
著者Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Ostermann, A, Schrader, T.E, Sunami, T, Kuroki, R, Adachi, M.
登録日2018-04-07
公開日2018-11-21
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION
主引用文献Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
8SSP
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AurA bound to danusertib and activating monobody Mb1
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Ludewig, H, Kim, C, Kern, D.
登録日2023-05-08
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
5YV8
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Structure of CaMKK2 in complex with CKI-002
分子名称: 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
著者Niwa, H, Handa, N, Yokoyama, S.
登録日2017-11-24
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.927 Å)
主引用文献Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
8SSO
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AurA bound to danusertib and inhibiting monobody Mb2
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aurora kinase A, ...
著者Ludewig, H, Kim, C, Kern, D.
登録日2023-05-08
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
5Z1D
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MAP2K7 C276S mutant-inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dual specificity mitogen-activated protein kinase kinase 7, N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
著者Kinoshita, T, London, N.
登録日2017-12-26
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Covalent Docking Identifies a Potent and Selective MKK7 Inhibitor.
Cell Chem Biol, 26, 2019
5ZAN
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Crystal Structure of Aurora-A in complex with a new Quinazoline inhibitor
分子名称: 7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine, Aurora kinase A
著者Cheng, B, Lu, G, Zhou, H.
登録日2018-02-07
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Optimization of Novel Quinazolines as Potent and Orally Bioavailable Aurora Kinase Inhibitors
To Be Published
5YVC
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Structure of CaMKK2 in complex with CKI-012
分子名称: 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
著者Niwa, H, Handa, N, Yokoyama, S.
登録日2017-11-24
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
5ZN1
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BU of 5zn1 by Molmil
X-ray structure of protein kinase ck2 alpha subunit in D2O
分子名称: Casein kinase II subunit alpha, SULFATE ION
著者Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M.
登録日2018-04-07
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
5ZN5
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BU of 5zn5 by Molmil
X-ray structure of protein kinase ck2 alpha subunit H148A mutant
分子名称: Casein kinase II subunit alpha, SULFATE ION
著者Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M.
登録日2018-04-07
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
5ZN3
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X-ray structure of protein kinase ck2 alpha subunit H148S mutant
分子名称: Casein kinase II subunit alpha, SULFATE ION
著者Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M.
登録日2018-04-07
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
5ZN2
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BU of 5zn2 by Molmil
X-ray structure of protein kinase ck2 alpha subunit H148A mutant
分子名称: Casein kinase II subunit alpha, SULFATE ION
著者Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M.
登録日2018-04-07
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
6A1G
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BU of 6a1g by Molmil
Crystal structure of human DYRK1A in complex with compound 32
分子名称: 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Baba, D, Hanzawa, H.
登録日2018-06-07
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
6A1F
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Crystal structure of human DYRK1A in complex with compound 14
分子名称: 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ...
著者Baba, D, Hanzawa, H.
登録日2018-06-07
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
6AE3
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BU of 6ae3 by Molmil
Crystal structure of GSK3beta complexed with Morin
分子名称: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, GLYCEROL, Glycogen synthase kinase-3 beta
著者Kim, K.L, Cha, J.S, Kim, J.S, Ahn, J.S, Ha, N.C, Cho, H.S.
登録日2018-08-03
公開日2018-09-19
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of GSK3 beta in complex with the flavonoid, morin
Biochem. Biophys. Res. Commun., 504, 2018
1O9U
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GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH AXIN PEPTIDE
分子名称: 9-METHYL-9H-PURIN-6-AMINE, AXIN PEPTIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Dajani, R, Pearl, L.H, Roe, S.M.
登録日2002-12-19
公開日2003-08-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Recruitment of Glycogen Synthase Kinase 3Beta to the Axin-Apc Scaffold Complex
Embo J., 22, 2003
1NVR
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BU of 1nvr by Molmil
The Complex Structure Of Checkpoint Kinase Chk1/Staurosporine
分子名称: Peptide ASVSA, STAUROSPORINE, SULFATE ION, ...
著者Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B.
登録日2003-02-04
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Chk1 Inhibition by UCN-01
J.Biol.Chem., 277, 2002
1NXK
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Crystal structure of staurosporine bound to MAP KAP kinase 2
分子名称: MAP kinase-activated protein kinase 2, STAUROSPORINE, SULFATE ION
著者Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Czerwinski, R.M, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L.
登録日2003-02-10
公開日2003-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
1NVS
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BU of 1nvs by Molmil
The Complex Structure Of Checkpoint Kinase Chk1/SB218078
分子名称: Peptide ASVSA, REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE, SULFATE ION, ...
著者Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B.
登録日2003-02-04
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Chk1 Inhibition by UCN-01
J.Biol.Chem., 277, 2002
1O6Y
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Catalytic domain of PknB kinase from Mycobacterium tuberculosis
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE PKNB
著者Ortiz-Lombardia, M, Pompeo, F, Boitel, B, Alzari, P.M, TB Structural Genomics Consortium (TBSGC)
登録日2002-10-21
公開日2003-01-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Catalytic Domain of the Pknb Serine/Threonine Kinase from Mycobacterium Tuberculosis
J.Biol.Chem., 278, 2003
1OIR
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Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
分子名称: 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2
著者Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J.
登録日2003-06-24
公開日2003-09-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1OIQ
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Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
分子名称: CELL DIVISION PROTEIN KINASE 2, N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE
著者Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J.
登録日2003-06-24
公開日2003-09-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1OZ1
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P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
分子名称: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14
著者Lovejoy, B, Villasenor, A, Browner, M, Dunten, P.
登録日2003-04-07
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
1OUK
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The structure of p38 alpha in complex with a pyridinylimidazole inhibitor
分子名称: 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION
著者Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
登録日2003-03-24
公開日2003-09-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
1OUY
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The structure of p38 alpha in complex with a dihydropyrido-pyrimidine inhibitor
分子名称: 1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONE, Mitogen-activated protein kinase 14
著者Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
登録日2003-03-25
公開日2003-09-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003

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