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6EIR
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BU of 6eir by Molmil
DYRK1A in complex with XMD15-27-2
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2021-07-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIQ
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BU of 6eiq by Molmil
DYRK1A in complex with XMD14-124
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIP
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BU of 6eip by Molmil
DYRK1A in complex with XMD8-62e
分子名称: 4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EJ4
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BU of 6ej4 by Molmil
DYRK1A in complex with XMD7-112
分子名称: 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-20
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIL
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BU of 6eil by Molmil
DYRK1A in complex with XMD8-49
分子名称: DYRK1A, [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.465 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIS
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BU of 6eis by Molmil
DYRK1A in complex with JWC-055
分子名称: 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EGF
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BU of 6egf by Molmil
Crystal structure of the inactive unphosphorylated IRAK4 kinase domain bound to AMP-PNP
分子名称: Interleukin-1 receptor-associated kinase 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Ferrao, R, Wu, H.
登録日2018-08-19
公開日2019-02-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EIJ
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BU of 6eij by Molmil
DYRK1A in complex with HG-8-60-1
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIF
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BU of 6eif by Molmil
DYRK1A in complex with XMD7-117
分子名称: 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EGD
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BU of 6egd by Molmil
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
著者Ferrao, R, Wu, H.
登録日2018-08-19
公開日2019-02-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EIV
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BU of 6eiv by Molmil
DYRK1A in complex with JWD-065
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6JX0
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BU of 6jx0 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by co-crystallization
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Yan, X.E, Zhu, S.J.
登録日2019-04-21
公開日2020-04-22
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
4E93
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BU of 4e93 by Molmil
Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES)in complex with TAE684
分子名称: 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, Tyrosine-protein kinase Fes/Fps
著者Filippakopoulos, P, Salah, E, Miduturu, C.V, Fedorov, O, Cooper, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-03-20
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Small-Molecule Inhibitors of the c-Fes Protein-Tyrosine Kinase.
Chem.Biol., 19, 2012
5XDK
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BU of 5xdk by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with CO-1686
分子名称: Epidermal growth factor receptor, N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
著者Yan, X.E, Yun, C.H.
登録日2017-03-28
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.346 Å)
主引用文献Structural basis of mutant-selectivity and drug-resistance related to CO-1686.
Oncotarget, 8, 2017
4CKR
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BU of 4ckr by Molmil
Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1
分子名称: 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
著者Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2014-01-07
公開日2014-01-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
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件を2024-08-07に公開中

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