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4JBV
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Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268
Descriptor: 1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2013-02-20
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of potent and selective Plasmodium falciparum calcium-dependent protein kinase 4 (PfCDPK4) inhibitors that block the transmission of malaria to mosquitoes.
Eur.J.Med.Chem., 74, 2014
4IM3
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BU of 4im3 by Molmil
Structure of Tank-Binding Kinase 1
Descriptor: CHLORIDE ION, MERCURY (II) ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ...
Authors:Tu, D, Eck, M.J.
Deposit date:2013-01-01
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.342 Å)
Cite:Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IM2
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BU of 4im2 by Molmil
Structure of Tank-Binding Kinase 1
Descriptor: CHLORIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
Authors:Tu, D, Eck, M.J.
Deposit date:2013-01-01
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5001 Å)
Cite:Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IM0
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BU of 4im0 by Molmil
Structure of Tank-Binding Kinase 1
Descriptor: N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1
Authors:Tu, D, Eck, M.J.
Deposit date:2013-01-01
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4001 Å)
Cite:Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4JL9
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Crystal structure of mouse TBK1 bound to BX795
Descriptor: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
Authors:Li, P, Shu, C.
Deposit date:2013-03-12
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.0999 Å)
Cite:Structural Insights into the Functions of TBK1 in Innate Antimicrobial Immunity.
Structure, 21, 2013
4L44
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Crystal structures of human p70S6K1-T389A (form II)
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ...
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4L42
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Crystal structures of human p70S6K1-PIF
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ...
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
7ACK
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BU of 7ack by Molmil
CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor
Descriptor: 1,2-ETHANEDIOL, 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one, Cyclin-A2, ...
Authors:Skerlova, J, Pachl, P, Rezacova, P.
Deposit date:2020-09-11
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure.
Eur.J.Med.Chem., 216, 2021
4J7B
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Crystal structure of polo-like kinase 1
Descriptor: 205 kDa microtubule-associated protein, Polo-like kinase
Authors:Xu, J, Shen, C, Quan, J, Wang, T.
Deposit date:2013-02-13
Release date:2013-07-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the inhibition of Polo-like kinase 1
Nat.Struct.Mol.Biol., 20, 2013
4L46
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Crystal structures of human p70S6K1-WT
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ...
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4L45
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Crystal structures of human p70S6K1-T389E
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4L9I
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BU of 4l9i by Molmil
Bovine G Protein Coupled Receptor Kinase 1 in Complex with Paroxetine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Paroxetine, ...
Authors:Homan, K.T, Tesmer, J.J.G.
Deposit date:2013-06-18
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural and functional analysis of g protein-coupled receptor kinase inhibition by paroxetine and a rationally designed analog.
Mol.Pharmacol., 85, 2014
6Z45
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BU of 6z45 by Molmil
CDK9-Cyclin-T1 complex bound by compound 24
Descriptor: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
Authors:Ferguson, A, Collie, G.W.
Deposit date:2020-05-22
Release date:2020-12-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
6Z4X
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BU of 6z4x by Molmil
Structure of the CAK complex form Chaetomium thermophilum bound to ATP-gamma-S
Descriptor: CHLORIDE ION, CYCLIN domain-containing protein, MAGNESIUM ION, ...
Authors:Peissert, S, Kuper, J, Kisker, C.
Deposit date:2020-05-26
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural basis for CDK7 activation by MAT1 and Cyclin H.
Proc.Natl.Acad.Sci.USA, 117, 2020
4JLC
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BU of 4jlc by Molmil
Crystal structure of mouse TBK1 bound to SU6668
Descriptor: 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, Serine/threonine-protein kinase TBK1
Authors:Li, P.
Deposit date:2013-03-12
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights into the Functions of TBK1 in Innate Antimicrobial Immunity.
Structure, 21, 2013
4L43
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BU of 4l43 by Molmil
Crystal structures of human p70S6K1-T389A (form I)
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4L67
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BU of 4l67 by Molmil
Crystal Structure of Catalytic Domain of PAK4
Descriptor: Serine/threonine-protein kinase PAK 4
Authors:Wang, W, Song, J.
Deposit date:2013-06-12
Release date:2013-08-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:NMR binding and crystal structure reveal that intrinsically-unstructured regulatory domain auto-inhibits PAK4 by a mechanism different for that of PAK1
Biochem.Biophys.Res.Commun., 438, 2013
4LGD
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BU of 4lgd by Molmil
Structural Basis for Autoactivation of Human Mst2 Kinase and Its Regulation by RASSF5
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ras association domain family member 5, ...
Authors:Luo, X, Ni, L, Tomchick, D.R.
Deposit date:2013-06-27
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural Basis for Autoactivation of Human Mst2 Kinase and Its Regulation by RASSF5.
Structure, 21, 2013
4KRC
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BU of 4krc by Molmil
Crystal Structure of Pho85-Pcl10-ATP-gamma-S Complex
Descriptor: Cyclin-dependent protein kinase PHO85, MAGNESIUM ION, PHO85 cyclin-10, ...
Authors:Quiocho, F.A, Zheng, F.
Deposit date:2013-05-16
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition.
J.Biol.Chem., 288, 2013
4IWP
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BU of 4iwp by Molmil
Crystal structure and mechanism of activation of TBK1
Descriptor: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
Authors:Panne, D, Larabi, A.
Deposit date:2013-01-24
Release date:2013-03-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.065 Å)
Cite:Crystal structure and mechanism of activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IW0
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BU of 4iw0 by Molmil
Crystal structure and mechanism of activation of TBK1
Descriptor: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
Authors:Larabi, A, Devos, J.M, Ng, S.-L, Nanao, M.H, Round, A, Maniatis, T, Panne, D.
Deposit date:2013-01-23
Release date:2013-03-13
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (4 Å)
Cite:Crystal structure and mechanism of activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IZ5
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BU of 4iz5 by Molmil
Structure of the complex between ERK2 phosphomimetic mutant and PEA-15
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, ...
Authors:Mace, P.D, Robinson, H, Riedl, S.J.
Deposit date:2013-01-29
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK.
Nat Commun, 4, 2013
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
Descriptor: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2013-08-12
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
4MD9
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Crystal Structure of symmetric CK2 holoenzyme with mutated alpha subunit (F121E truncated at aa 336)
Descriptor: Casein kinase II subunit alpha, Casein kinase II subunit beta, ZINC ION
Authors:Lolli, G, Ranchio, A, Battistutta, R.
Deposit date:2013-08-22
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Active Form of the Protein Kinase CK2 alpha 2 beta 2 Holoenzyme Is a Strong Complex with Symmetric Architecture.
Acs Chem.Biol., 9, 2014
4KIK
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BU of 4kik by Molmil
Human IkB kinase beta
Descriptor: Inhibitor of nuclear factor kappa-B kinase subunit beta, K-252A
Authors:Liu, S, Mosyak, L.
Deposit date:2013-05-02
Release date:2013-06-26
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Crystal Structure of a Human I kappa B Kinase beta Asymmetric Dimer.
J.Biol.Chem., 288, 2013

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PDB entries from 2024-08-07

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