7N4R
 
 | | Bruton's tyrosine kinase in complex with compound 21 | | 分子名称: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4Q
 | | Bruton's tyrosine kinase in complex with compound 45 | | 分子名称: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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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
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7MOB
 | | Cryo-EM structure of 2:2 c-MET/NK1 complex | | 分子名称: | Hepatocyte growth factor, Hepatocyte growth factor receptor | | 著者 | Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C. | | 登録日 | 2021-05-01 | | 公開日 | 2021-06-09 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (5 Å) | | 主引用文献 | Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
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7MOA
 | | Cryo-EM structure of the c-MET II/HGF I complex bound with HGF II in a rigid conformation | | 分子名称: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor receptor | | 著者 | Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C. | | 登録日 | 2021-05-01 | | 公開日 | 2021-06-09 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | | 主引用文献 | Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
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7MO9
 | | Cryo-EM map of the c-MET II/HGF I/HGF II (K4 and SPH) sub-complex | | 分子名称: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor receptor | | 著者 | Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C. | | 登録日 | 2021-05-01 | | 公開日 | 2021-06-09 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
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7MO8
 | | Cryo-EM structure of 1:1 c-MET I/HGF I complex after focused 3D refinement of holo-complex | | 分子名称: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor receptor | | 著者 | Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C. | | 登録日 | 2021-05-01 | | 公開日 | 2021-06-09 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
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7MO7
 | | Cryo-EM structure of 2:2 c-MET/HGF holo-complex | | 分子名称: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor receptor | | 著者 | Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C. | | 登録日 | 2021-05-01 | | 公開日 | 2021-06-09 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
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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
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7MN6
 | | Structure of the HER2 S310F/HER3/NRG1b Heterodimer Extracellular Domain | | 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 | 2021-10-27 | | 最終更新日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | | 主引用文献 | Structures of the HER2-HER3-NRG1 beta complex reveal a dynamic dimer interface.
Nature, 600, 2021
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7MN5
 | | Structure of the HER2/HER3/NRG1b Heterodimer Extracellular Domain | | 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 | 2021-10-27 | | 最終更新日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | | 主引用文献 | Structures of the HER2-HER3-NRG1 beta complex reveal a dynamic dimer interface.
Nature, 600, 2021
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7MGK
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7MGJ
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7MFF
 | | Dimeric (BRAF)2:(14-3-3)2 complex bound to SB590885 Inhibitor | | 分子名称: | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf | | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | | 登録日 | 2021-04-09 | | 公開日 | 2022-01-26 | | 最終更新日 | 2022-02-09 | | 実験手法 | ELECTRON MICROSCOPY (3.89 Å) | | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
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7MFE
 | | Autoinhibited BRAF:(14-3-3)2 complex with the BRAF RBD resolved | | 分子名称: | 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf, ZINC ION | | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | | 登録日 | 2021-04-09 | | 公開日 | 2022-01-26 | | 最終更新日 | 2022-02-09 | | 実験手法 | ELECTRON MICROSCOPY (4.07 Å) | | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
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7MFD
 | | Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved | | 分子名称: | 14-3-3 protein zeta/delta, Dual specificity mitogen-activated protein kinase kinase 1, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | | 登録日 | 2021-04-09 | | 公開日 | 2022-01-26 | | 最終更新日 | 2022-02-09 | | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
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7MFC
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7M5Z
 | | Crystal Structure of the MerTK Kinase Domain in Complex with Inhibitor MIPS15692 | | 分子名称: | 2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase Mer | | 著者 | Hermans, S.J, Hancock, N.C, Baell, J.B, Parker, M.W. | | 登録日 | 2021-03-25 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Development of [ 18 F]MIPS15692, a radiotracer with in vitro proof-of-concept for the imaging of MER tyrosine kinase (MERTK) in neuroinflammatory disease.
Eur.J.Med.Chem., 226, 2021
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7M0Z
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and CH5126766 | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M0Y
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Trametinib | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M0X
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and PD0325901 | | 分子名称: | CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M0W
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Pimasertib | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M0V
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Cobimetinib | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.16 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M0U
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Binimetinib | | 分子名称: | 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M0T
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Selumetinib | | 分子名称: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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