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BU of 5nki by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4b
分子名称:	Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.675 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5nk8 by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2f
分子名称:	Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.761 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5nkg by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3d
分子名称:	Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.1 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5nk0 by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1j
分子名称:	2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.597 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5nk4 by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2c
分子名称:	1,2-ETHANEDIOL, 2-[[3-[[(4~{R})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.45 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5nkb by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4a
分子名称:	1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5nkh by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3e
分子名称:	2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.29 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5njz by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1g
分子名称:	Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.768 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5nk1 by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1k
分子名称:	2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.548 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5nk6 by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2d
分子名称:	Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.267 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5nk2 by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2b
分子名称:	1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.649 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5nka by Molmil

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2g
分子名称:	1,2-ETHANEDIOL, 4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid, Ephrin type-A receptor 2
著者	Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日	2017-03-31
公開日	2017-06-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.377 Å)
主引用文献	Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017

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BU of 5m75 by Molmil

Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a (S)-methyl substitued Fasudil-derivative
分子名称:	5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者	Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日	2016-10-26
公開日	2018-06-06
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.538 Å)
主引用文献	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands. To be Published

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