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4M69
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Crystal structure of the mouse RIP3-MLKL complex
分子名称: CHLORIDE ION, MAGNESIUM ION, Mixed lineage kinase domain-like protein, ...
著者Xie, T, Peng, W, Yan, C, Wu, J, Shi, Y.
登録日2013-08-09
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Structural Insights into RIP3-Mediated Necroptotic Signaling
Cell Rep, 5, 2013
4M68
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Crystal structure of the mouse MLKL kinase-like domain
分子名称: GLYCEROL, Mixed lineage kinase domain-like protein
著者Xie, T, Peng, W, Yan, C, Wu, J, Shi, Y.
登録日2013-08-09
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Structural Insights into RIP3-Mediated Necroptotic Signaling
Cell Rep, 5, 2013
4M67
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Crystal structure of the human MLKL kinase-like domain
分子名称: Mixed lineage kinase domain-like protein
著者Xie, T, Peng, W, Yan, C, Wu, J, Shi, Y.
登録日2013-08-09
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into RIP3-Mediated Necroptotic Signaling
Cell Rep, 5, 2013
4M3Q
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Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917
分子名称: CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ...
著者Zhang, W, Zhang, D, Stashko, M.A, DeRyckere, D, Hunter, D, Kireev, D.B, Miley, M, Cummings, C, Lee, M, Norris-Drouin, J, Stewart, W.M, Sather, S, Zhou, Y, Kirkpatrick, G, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
登録日2013-08-06
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.718 Å)
主引用文献Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors.
J.Med.Chem., 56, 2013
4M15
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Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
分子名称: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M14
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Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M13
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Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M12
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Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Z
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Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}
分子名称: 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Y
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Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4LUE
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BU of 4lue by Molmil
Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002)
分子名称: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
登録日2013-07-25
公開日2014-02-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
4LUD
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Crystal Structure of HCK in complex with the fluorescent compound SKF86002
分子名称: 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
登録日2013-07-25
公開日2014-02-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
4LRM
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BU of 4lrm by Molmil
EGFR D770_N771insNPG in complex with PD168393
分子名称: Epidermal growth factor receptor, N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
著者Yun, C.H, Eck, M.J.
登録日2013-07-20
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.526 Å)
主引用文献Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer.
Sci Transl Med, 5, 2013
4LQM
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EGFR L858R in complex with PD168393
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
著者Yun, C.H, Eck, M.J.
登録日2013-07-19
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer.
Sci Transl Med, 5, 2013
4LL0
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EGFR L858R/T790M in complex with PD168393
分子名称: Epidermal growth factor receptor, N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
著者Yun, C.H, Eck, M.J.
登録日2013-07-09
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Mechanism for activation of mutated epidermal growth factor receptors in lung cancer.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LI5
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BU of 4li5 by Molmil
EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide
分子名称: Epidermal growth factor receptor, N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide, SODIUM ION
著者Debreczeni, J.E, Seiffert, G.B, Kiefersauer, R, Augustin, M, Nagel, S, Ward, R, Anderton, M, Ashton, S, Bethel, P, Box, M, Butterworth, S, Colclough, N, Chroley, C, Chuaqui, C, Cross, D, Eberlein, C, Finlay, R, Hill, G, Grist, M, Klinowska, T, Lane, C, Martin, S, Orme, J, Smith, P, Wang, F, Waring, M.
登録日2013-07-02
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure- and Reactivity-Based Development of Covalent Inhibitors of the Activating and Gatekeeper Mutant Forms of the Epidermal Growth Factor Receptor (EGFR).
J.Med.Chem., 56, 2013
4LGH
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BU of 4lgh by Molmil
Crystal structure of 1NM-PP1 bound to analog-sensitive Src kinase
分子名称: 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Lopez, M.S, Dar, A.C, Shokat, K.M.
登録日2013-06-27
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structure-guided inhibitor design expands the scope of analog-sensitive kinase technology.
Acs Chem.Biol., 8, 2013
4LGG
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BU of 4lgg by Molmil
Structure of 3MB-PP1 bound to analog-sensitive Src kinase
分子名称: 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Lopez, M.S, Dar, A.C, Shokat, K.M.
登録日2013-06-27
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure-guided inhibitor design expands the scope of analog-sensitive kinase technology.
Acs Chem.Biol., 8, 2013
4L7S
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BU of 4l7s by Molmil
Kinase domain mutant of human Itk in complex with an aminobenzothiazole inhibitor
分子名称: SULFATE ION, Tyrosine-protein kinase ITK/TSK, trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol
著者Somers, D.O.
登録日2013-06-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy.
ACS Med Chem Lett, 4, 2013
4L68
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Structure of the psedudokinase domain of BIR2, an immune regulator of the RLK/Pelle family
分子名称: 1,3-PROPANDIOL, Leucine-rich repeat protein kinase-like protein
著者Blaum, B.S, Stehle, T.
登録日2013-06-12
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the pseudokinase domain of BIR2, a regulator of BAK1-mediated immune signaling in Arabidopsis.
J.Struct.Biol., 186, 2014
4L53
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Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ...
著者Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
登録日2013-06-10
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
4L52
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Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1
分子名称: 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
著者Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
登録日2013-06-10
公開日2013-07-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
4L3P
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Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1
分子名称: 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
著者Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M.
登録日2013-06-06
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
4L01
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Crystal structure of the V658F apo Jak1 pseudokinase domain
分子名称: Tyrosine-protein kinase JAK1
著者Toms, A.V, Rogers, J.M, Eck, M.J.
登録日2013-05-30
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a pseudokinase-domain switch that controls oncogenic activation of Jak kinases.
Nat.Struct.Mol.Biol., 20, 2013
4L00
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Crystal structure of the apo Jak1 pseudokinase domain
分子名称: Tyrosine-protein kinase JAK1
著者Toms, A.V, Eck, M.J.
登録日2013-05-30
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a pseudokinase-domain switch that controls oncogenic activation of Jak kinases.
Nat.Struct.Mol.Biol., 20, 2013

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