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6QF4
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X-Ray structure of human Serine/Threonine Kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by on-chip soaking
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
登録日2019-01-09
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
6QFR
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Structure of the mitogen activated kinase kinase 7 dfg-out conformation
分子名称: Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-10
公開日2019-05-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
4FKI
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Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor
分子名称: Cyclin-dependent kinase 2, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor
To be Published
4FKT
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BU of 4fkt by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: Cyclin-dependent kinase 2, N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
6Q4D
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BU of 6q4d by Molmil
CDK2 in complex with FragLite31
分子名称: 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
4FIH
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Catalytic domain of human PAK4 with QKFTGLPRQW peptide
分子名称: Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2012-06-08
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
6QE1
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BU of 6qe1 by Molmil
P38 alpha complex with AR117046
分子名称: 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
著者Brown, D.G, Hurley, C, Irving, S.L.
登録日2019-01-03
公開日2020-01-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献P38 alpha complex with AR117045 and AR117046
To Be Published
4FKQ
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BU of 4fkq by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide, Cyclin-dependent kinase 2, GLYCEROL
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FGB
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BU of 4fgb by Molmil
Crystal structure of human calcium/calmodulin-dependent protein kinase I apo form
分子名称: Calcium/calmodulin-dependent protein kinase type 1
著者Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J.
登録日2012-06-04
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
4FMQ
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BU of 4fmq by Molmil
Crystal structure of human ERK2 complexed with a MAPK docking peptide
分子名称: MAPK DOCKING PEPTIDE, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Gogl, G, Toeroe, I, Remenyi, A.
登録日2012-06-18
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Specificity of linear motifs that bind to a common mitogen-activated protein kinase docking groove.
Sci.Signal., 5, 2012
4FIJ
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BU of 4fij by Molmil
Catalytic domain of human PAK4
分子名称: Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2012-06-08
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FKU
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BU of 4fku by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid, Cyclin-dependent kinase 2, GLYCEROL
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
6QFT
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BU of 6qft by Molmil
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidin 1b
分子名称: 1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-10
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
4FR4
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BU of 4fr4 by Molmil
Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
分子名称: 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A
著者Chaikuad, A, Elkins, J.M, Krojer, T, Mahajan, P, Goubin, S, Szklarz, M, Tumber, A, Wang, J, Savitsky, P, Shrestha, B, Daga, N, Picaud, S, Fedorov, O, Allerston, C.K, Latwiel, S.V.A, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-06-26
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
6QJ7
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BU of 6qj7 by Molmil
Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1)
分子名称: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}'-[(2~{S})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide
著者Graedler, U.
登録日2019-01-23
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1)
To Be Published
4FKG
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BU of 4fkg by Molmil
Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
分子名称: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid, Cyclin-dependent kinase 2
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
To be Published
4FKS
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BU of 4fks by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: Cyclin-dependent kinase 2, N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FI1
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BU of 4fi1 by Molmil
Crystal structure of scCK2 alpha in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, MAGNESIUM ION, ...
著者Liu, H, Wang, H, Teng, M, Li, X.
登録日2012-06-07
公開日2013-06-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of scCK2 alpha in complex with ATP
To be Published
6QFL
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BU of 6qfl by Molmil
Structure of the mitogen activated kinase kinase 7 active conformation
分子名称: Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-10
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
6QG7
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BU of 6qg7 by Molmil
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1k
分子名称: (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-10
公開日2019-05-22
最終更新日2019-06-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
6QHR
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BU of 6qhr by Molmil
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1m
分子名称: 1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-17
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
6Q38
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The Crystal structure of CK2a bound to P1-C4
分子名称: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ...
著者Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
登録日2018-12-03
公開日2019-04-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
6Q4Q
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The Crystal structure of CK2a bound to P2-C4
分子名称: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, ACETATE ION, BENZOIC ACID, ...
著者Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
登録日2018-12-06
公開日2019-04-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
6QS5
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Crystal Structure of maize CK2 in complex with tyrphostin AG99
分子名称: (~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide, Casein kinase II subunit alpha
著者Lolli, G, Mazzorana, M, Battistutta, R.
登録日2019-02-20
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
4FG9
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BU of 4fg9 by Molmil
Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-320 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1
著者Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J.
登録日2012-06-04
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012

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