6PL2
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![BU of 6pl2 by Molmil](/molmil-images/mine/6pl2) | TRK-A IN COMPLEX WITH LIGAND 1a | 分子名称: | High affinity nerve growth factor receptor, N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide | 著者 | Subramanian, G. | 登録日 | 2019-06-30 | 公開日 | 2019-09-04 | 最終更新日 | 2019-09-25 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA). Bioorg.Med.Chem.Lett., 29, 2019
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6PL4
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![BU of 6pl4 by Molmil](/molmil-images/mine/6pl4) | TRK-A IN COMPLEX WITH LIGAND 1 | 分子名称: | High affinity nerve growth factor receptor, N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea | 著者 | Subramanian, G, Brown, D.G. | 登録日 | 2019-06-30 | 公開日 | 2020-07-01 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | In Pursuit of an Allosteric Human Tropomyosin Kinase A (hTrkA) Inhibitor for Chronic Pain Acs Med.Chem.Lett., 2021
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6PME
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![BU of 6pme by Molmil](/molmil-images/mine/6pme) | TRK-A IN COMPLEX WITH LIGAND | 分子名称: | High affinity nerve growth factor receptor, N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide, S,R MESO-TARTARIC ACID, ... | 著者 | Subramanian, G, Brown, D.G. | 登録日 | 2019-07-01 | 公開日 | 2020-02-26 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA). Rsc Med Chem, 11, 2020
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6PDJ
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![BU of 6pdj by Molmil](/molmil-images/mine/6pdj) | Tyrosine-protein kinase LCK bound to Compound 11 | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide, NICKEL (II) ION, ... | 著者 | Critton, D.A. | 登録日 | 2019-06-19 | 公開日 | 2019-10-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Discovery of Pyridazinone and Pyrazolo[1,5-a]pyridine Inhibitors of C-Terminal Src Kinase. Acs Med.Chem.Lett., 10, 2019
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6PL3
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![BU of 6pl3 by Molmil](/molmil-images/mine/6pl3) | TRK-A IN COMPLEX WITH LIGAND 2a | 分子名称: | 2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate, High affinity nerve growth factor receptor | 著者 | Subramanian, G. | 登録日 | 2019-06-30 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA). Bioorg.Med.Chem.Lett., 29, 2019
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6PNX
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![BU of 6pnx by Molmil](/molmil-images/mine/6pnx) | |
6PMC
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![BU of 6pmc by Molmil](/molmil-images/mine/6pmc) | TRK-A IN COMPLEX WITH LIGAND 1a | 分子名称: | High affinity nerve growth factor receptor, N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide | 著者 | Subramanian, G, Brown, D.G. | 登録日 | 2019-07-01 | 公開日 | 2020-02-26 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA). Rsc Med Chem, 11, 2020
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6Q7E
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![BU of 6q7e by Molmil](/molmil-images/mine/6q7e) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL14 | 分子名称: | 3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.059 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6Q7F
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![BU of 6q7f by Molmil](/molmil-images/mine/6q7f) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL18 | 分子名称: | 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.204 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6Q7C
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![BU of 6q7c by Molmil](/molmil-images/mine/6q7c) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11 | 分子名称: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.049 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6Q7G
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![BU of 6q7g by Molmil](/molmil-images/mine/6q7g) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01 | 分子名称: | 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.047 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6Q7B
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![BU of 6q7b by Molmil](/molmil-images/mine/6q7b) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09 | 分子名称: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.009 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6O94
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![BU of 6o94 by Molmil](/molmil-images/mine/6o94) | Structure of the IRAK4 kinase domain with compound 17 | 分子名称: | CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | 著者 | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | 登録日 | 2019-03-13 | 公開日 | 2019-05-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6OBL
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![BU of 6obl by Molmil](/molmil-images/mine/6obl) | JAK2 JH2 in complex with JAK168 | 分子名称: | Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | 著者 | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | 登録日 | 2019-03-21 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.061 Å) | 主引用文献 | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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6OBF
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![BU of 6obf by Molmil](/molmil-images/mine/6obf) | JAK2 JH2 in complex with JAK179 | 分子名称: | GLYCEROL, Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | 著者 | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | 登録日 | 2019-03-20 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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6O5Z
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![BU of 6o5z by Molmil](/molmil-images/mine/6o5z) | Crystal Structure of the human MLKL pseudokinase domain bound to compound 2 | 分子名称: | 1,2-ETHANEDIOL, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea, Mixed lineage kinase domain-like protein | 著者 | Cowan, A.D, Murphy, J.M, Pierotti, C.L, Lessene, G.L, Czabotar, P.E. | 登録日 | 2019-03-04 | 公開日 | 2020-09-16 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.285 Å) | 主引用文献 | Potent Inhibition of Necroptosis by Simultaneously Targeting Multiple Effectors of the Pathway. Acs Chem.Biol., 15, 2020
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6O95
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![BU of 6o95 by Molmil](/molmil-images/mine/6o95) | Structure of the IRAK4 kinase domain with compound 41 | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | 著者 | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | 登録日 | 2019-03-13 | 公開日 | 2019-05-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6OCC
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![BU of 6occ by Molmil](/molmil-images/mine/6occ) | JAK2 JH2 in complex with JAK190 | 分子名称: | 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | 登録日 | 2019-03-22 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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6OMU
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![BU of 6omu by Molmil](/molmil-images/mine/6omu) | Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib | 分子名称: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, Tyrosine-protein kinase BTK | 著者 | Mochalkin, I, Gardberg, A.S. | 登録日 | 2019-04-19 | 公開日 | 2019-08-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases. J.Med.Chem., 62, 2019
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6Q7D
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![BU of 6q7d by Molmil](/molmil-images/mine/6q7d) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13 | 分子名称: | 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.978 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6O8I
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![BU of 6o8i by Molmil](/molmil-images/mine/6o8i) | BTK In Complex With Inhibitor | 分子名称: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK | 著者 | Pokross, M, Tebben, A.J, Watterson, S.H. | 登録日 | 2019-03-11 | 公開日 | 2019-04-03 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK). J. Med. Chem., 62, 2019
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5JH6
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![BU of 5jh6 by Molmil](/molmil-images/mine/5jh6) | Crystal structure of TL10-92 bound to TAK1-TAB1 | 分子名称: | 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate, Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | 著者 | Gurbani, D, Westover, K.D. | 登録日 | 2016-04-20 | 公開日 | 2017-02-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.365 Å) | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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5JFW
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![BU of 5jfw by Molmil](/molmil-images/mine/5jfw) | Crystal structure of TrkA in complex with PF-05247452 | 分子名称: | 2-(4-cyanophenyl)-N-{5-[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide, High affinity nerve growth factor receptor | 著者 | Jayasankar, J, Kurumbail, R, Skerratt, S, Brown, D. | 登録日 | 2016-04-19 | 公開日 | 2017-03-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain. J. Med. Chem., 59, 2016
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5JRS
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![BU of 5jrs by Molmil](/molmil-images/mine/5jrs) | |
5JRQ
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![BU of 5jrq by Molmil](/molmil-images/mine/5jrq) | BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide, ... | 著者 | Grasso, M.J, Marmorstein, R. | 登録日 | 2016-05-06 | 公開日 | 2016-09-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.287 Å) | 主引用文献 | Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation. Acs Chem.Biol., 11, 2016
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