7LTZ
 
 | | Bruton's tyrosine kinase in complex with compound 51 | | 分子名称: | 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ... | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-02-20 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
|
|
7LTY
 | | Bruton's tyrosine kinase in complex with compound 23 | | 分子名称: | DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-02-20 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
|
|
7LL4
 | |
7DUA
 | |
7DU9
 | |
7F3M
 | | Crystal structure of FGFR4 kinase domain with PRN1371 | | 分子名称: | 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one, Fibroblast growth factor receptor 4, SULFATE ION | | 著者 | Chen, X.J, Qu, L.Z, Dai, S.Y, Wei, H.D, Chen, Y.H. | | 登録日 | 2021-06-16 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.289 Å) | | 主引用文献 | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
|
|
7QHG
 | | LIM domain kinase 2 (LIMK2) in complex with TH-470 | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide, LIM domain kinase 2 | | 著者 | Mathea, S, Salah, E, Hanke, T, Knapp, S. | | 登録日 | 2021-12-12 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes.
J.Med.Chem., 65, 2022
|
|
7SZ0
 | | Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-juxtaposed" conformation | | 分子名称: | Epidermal growth factor, Epidermal growth factor receptor | | 著者 | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | 登録日 | 2021-11-25 | | 公開日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
|
|
7SZ1
 | | Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-separated" conformation | | 分子名称: | Epidermal growth factor, Epidermal growth factor receptor | | 著者 | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | 登録日 | 2021-11-25 | | 公開日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
|
|
7SZ5
 | | Cryo-EM structure of the extracellular module of the full-length EGFR bound to TGF-alpha "tips-separated" conformation | | 分子名称: | Epidermal growth factor receptor, Transforming growth factor alpha | | 著者 | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | 登録日 | 2021-11-25 | | 公開日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
|
|
7SYD
 | | Cryo-EM structure of the extracellular module of the full-length EGFR bound to EGF "tips-juxtaposed" conformation | | 分子名称: | Epidermal growth factor, Epidermal growth factor receptor | | 著者 | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | 登録日 | 2021-11-24 | | 公開日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
|
|
7SYE
 | | Cryo-EM structure of the extracellular module of the full-length EGFR bound to EGF. "tips-separated" conformation | | 分子名称: | Epidermal growth factor, Epidermal growth factor receptor | | 著者 | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | 登録日 | 2021-11-24 | | 公開日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
|
|
7D5O
 | | C-Src in complex with TAS-120 | | 分子名称: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Qu, L.Z, Chen, Y.H. | | 登録日 | 2020-09-27 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
|
|
7SZ7
 | | Cryo-EM structure of the extracellular module of the full-length EGFR bound to TGF-alpha. "tips-juxtaposed" conformation | | 分子名称: | Epidermal growth factor receptor, Transforming growth factor alpha | | 著者 | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | 登録日 | 2021-11-25 | | 公開日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
|
|
7OZF
 | | FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 19. | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Fibroblast growth factor receptor 1, ... | | 著者 | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | | 登録日 | 2021-06-28 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
|
|
7OZB
 | | FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 38. | | 分子名称: | 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 1, ... | | 著者 | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | | 登録日 | 2021-06-27 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
|
|
7OZY
 | | FGFR2 kinase domain (residues 461-763) in complex with 38. | | 分子名称: | 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 2, ... | | 著者 | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | | 登録日 | 2021-06-29 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
|
|
7OZD
 | | FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 34. | | 分子名称: | 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide, ... | | 著者 | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | | 登録日 | 2021-06-27 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
|
|
7MFC
 | |
7MON
 | | Structure of human RIPK3-MLKL complex | | 分子名称: | Mixed lineage kinase domain-like protein, N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3 | | 著者 | Meng, Y, Davies, K.A, Czabotar, P.E, Murphy, J.M. | | 登録日 | 2021-05-03 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
|
|
7MGK
 | |
7MN8
 | | Structure of the HER2/HER3/NRG1b Heterodimer Extracellular Domain bound to Trastuzumab Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 6 of Pro-neuregulin-1, ... | | 著者 | Diwanji, D, Trenker, R, Verba, K.A, Jura, N. | | 登録日 | 2021-04-30 | | 公開日 | 2021-11-10 | | 最終更新日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | | 主引用文献 | Structures of the HER2-HER3-NRG1 beta complex reveal a dynamic dimer interface.
Nature, 600, 2021
|
|
7MGJ
 | |
7P3V
 | | B-Raf V600E structure bound to a new inhibitor | | 分子名称: | Serine/threonine-protein kinase B-raf, ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide | | 著者 | Schneider, M, Gelin, M, Cohen-Gonsaud, M, Labesse, G. | | 登録日 | 2021-07-08 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding.
J.Med.Chem., 65, 2022
|
|
7RN6
 | |
