8EWY
 
 | | Structure of Janus Kinase (JAK) dimer complexed with cytokine receptor intracellular domain | | 分子名称: | ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, Interferon lambda receptor 1, ... | | 著者 | Caveney, N.A, Saxton, R.A, Waghray, D, Garcia, K.C. | | 登録日 | 2022-10-24 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-03-22 | | 実験手法 | ELECTRON MICROSCOPY (5.5 Å) | | 主引用文献 | Structural basis of Janus kinase trans-activation.
Cell Rep, 42, 2023
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8BOI
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 9 | | 分子名称: | 4-methyl-~{N}-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8BOD
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 20 | | 分子名称: | Ephrin type-A receptor 2, ~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8BOH
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 8 | | 分子名称: | 4-methyl-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8BOK
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11 | | 分子名称: | Ephrin type-A receptor 2, ~{N}-(3,5-dimethoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8BOG
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 7 | | 分子名称: | Ephrin type-A receptor 2, ~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8BOM
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 14 | | 分子名称: | Ephrin type-A receptor 2, ~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8BOF
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 12 | | 分子名称: | 4-methyl-~{N}-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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8FLN
 | | Crystal structure of BTK C481S kinase domain in complex with pirtobrutinib | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | | 著者 | Cedervall, E.P, Morales, T.H, Allerston, C.K. | | 登録日 | 2022-12-21 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.334 Å) | | 主引用文献 | Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor.
Blood, 142, 2023
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8FLL
 | | Crystal structure of BTK kinase domain in complex with pirtobrutinib | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | | 著者 | Cedervall, E.P, Morales, T.H, Allerston, C.K. | | 登録日 | 2022-12-21 | | 公開日 | 2023-03-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.498 Å) | | 主引用文献 | Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor.
Blood, 142, 2023
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8FLG
 | | Bruton's tyrosine kinase in complex with an orthosteric inhibitor | | 分子名称: | DIMETHYL SULFOXIDE, N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2022-12-21 | | 公開日 | 2023-03-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
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8FLH
 | | Bruton's tyrosine kinase in complex with an orthosteric inhibitor | | 分子名称: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2022-12-21 | | 公開日 | 2023-03-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
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8H7F
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8C7Y
 | | Crystal structure of BRAF V600E in complex with a hybrid compound 6 | | 分子名称: | 1,2-ETHANEDIOL, NITRATE ION, Serine/threonine-protein kinase B-raf, ... | | 著者 | Chaikuad, A, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-01-17 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-04-19 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Eur.J.Med.Chem., 250, 2023
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8C7X
 | | Crystal structure of BRAF in complex with a hybrid compound 6 | | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, Serine/threonine-protein kinase B-raf, ... | | 著者 | Chaikuad, A, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-01-17 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-04-19 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Eur.J.Med.Chem., 250, 2023
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7ZW8
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7ZY6
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7TYM
 | | Cryo-EM Structure of insulin receptor-related receptor (IRR) in active-state captured at pH 9. The 3D refinement was applied with C2 symmetry | | 分子名称: | Insulin receptor-related protein | | 著者 | Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C. | | 登録日 | 2022-02-13 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-05-31 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
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7TYJ
 | | Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was focused on one of two halves with C1 symmetry applied | | 分子名称: | Insulin receptor-related protein | | 著者 | Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C. | | 登録日 | 2022-02-13 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-05-31 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
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7TYK
 | | Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was applied with C2 symmetry | | 分子名称: | Insulin receptor-related protein | | 著者 | Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C. | | 登録日 | 2022-02-13 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-05-31 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
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8EJB
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8C7W
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304 | | 分子名称: | 1,2-ETHANEDIOL, 6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine, Activin receptor type I, ... | | 著者 | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | | 登録日 | 2023-01-17 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304
To Be Published
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8C7Z
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308 | | 分子名称: | 1,2-ETHANEDIOL, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, AMMONIUM ION, ... | | 著者 | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | | 登録日 | 2023-01-18 | | 公開日 | 2023-02-01 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308
To Be Published
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8EX1
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8BAB
 | | Crystal structure of JAK2 JH2-V617F in complex with CB76 | | 分子名称: | 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Haikarainen, T, Silvennoinen, O. | | 登録日 | 2022-10-11 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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