8UAK
 
 | | Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with Darovasertib (NVP-LXS196) at 2.82-A resolution | | 分子名称: | (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide, Protein kinase C alpha type | | 著者 | Romanowski, M.J, Lam, J, Visser, M. | | 登録日 | 2023-09-21 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
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8U7H
 | | Cryo-EM structure of LRRK2 bound to type I inhibitor GNE-7915 | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone, non-specific serine/threonine protein kinase | | 著者 | Zhu, H, Sun, J. | | 登録日 | 2023-09-15 | | 公開日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Pharmacology of LRRK2 with type I and II kinase inhibitors revealed by cryo-EM.
Cell Discov, 10, 2024
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8U1L
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7B7S
 | | CDK2/cyclin A2 in complex with 3H-pyrazolo[4,3-f]quinoline-based derivative HSD1368 | | 分子名称: | 7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide, Cyclin-A2, Cyclin-dependent kinase 2, ... | | 著者 | Djukic, S, Skerlova, J, Rezacova, P. | | 登録日 | 2020-12-11 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | 3 H -Pyrazolo[4,3- f ]quinoline-Based Kinase Inhibitors Inhibit the Proliferation of Acute Myeloid Leukemia Cells In Vivo.
J.Med.Chem., 64, 2021
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7APJ
 | | Structure of autoinhibited Akt1 reveals mechanism of PIP3-mediated activation | | 分子名称: | NB41, RAC-alpha serine/threonine-protein kinase,Non-specific serine/threonine protein kinase,RAC-alpha serine/threonine-protein kinase | | 著者 | Truebestein, L, Hornegger, H, Leonard, T.A. | | 登録日 | 2020-10-16 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure of autoinhibited Akt1 reveals mechanism of PIP 3 -mediated activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8VQ4
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | 分子名称: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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8VQ3
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | | 分子名称: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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7B55
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7B56
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7B57
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7BL1
 | | human complex II-BATS bound to membrane-attached Rab5a-GTP | | 分子名称: | Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O. | | 登録日 | 2021-01-17 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (9.8 Å) | | 主引用文献 | Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes.
Nat Commun, 12, 2021
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8UVL
 | | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | | 分子名称: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | | 登録日 | 2023-11-03 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 67, 2024
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8U7L
 | | Cryo-EM structure of LRRK2 bound to type II inhibitor GZD824 | | 分子名称: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | | 著者 | Zhu, H, Sun, J. | | 登録日 | 2023-09-15 | | 公開日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Pharmacology of LRRK2 with type I and II kinase inhibitors revealed by cryo-EM.
Cell Discov, 10, 2024
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8U8A
 | | Cryo-EM structure of LRRK2 bound to type II inhibitor ponatinib | | 分子名称: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | | 著者 | Zhu, H, Sun, J. | | 登録日 | 2023-09-16 | | 公開日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Pharmacology of LRRK2 with type I and II kinase inhibitors revealed by cryo-EM.
Cell Discov, 10, 2024
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8U8B
 | | Cryo-EM structure of LRRK2 bound to type II inhibitor rebastinib | | 分子名称: | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | | 著者 | Zhu, H, Sun, J. | | 登録日 | 2023-09-16 | | 公開日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Pharmacology of LRRK2 with type I and II kinase inhibitors revealed by cryo-EM.
Cell Discov, 10, 2024
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8USO
 | | Full-length human CaMKII delta holoenzyme | | 分子名称: | MALONATE ION, calcium/calmodulin-dependent protein kinase | | 著者 | Ozden, C, Abromson, N.L, Tomchick, D.R, Stratton, M.M, Garman, S.C. | | 登録日 | 2023-10-28 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Full-length human CaMKII delta holoenzyme
To be published
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8XFL
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8YHF
 | | The Crystal Structure of the Type I TGF beta receptor from Biortus. | | 分子名称: | 2-fluoranyl-~{N}-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1~{H}-imidazol-2-yl]methyl]aniline, TGF-beta receptor type-1 | | 著者 | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | | 登録日 | 2024-02-28 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The Crystal Structure of the Type I TGF beta receptor from Biortus.
To Be Published
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8XY7
 | | hPhK alpha-gamma subcomplex in active state | | 分子名称: | FARNESYL, Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform, ... | | 著者 | Yang, X.K, Xiao, J.Y. | | 登録日 | 2024-01-19 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Architecture and activation of human muscle phosphorylase kinase.
Nat Commun, 15, 2024
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8XYB
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8XYA
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9AXH
 | | Crystal structure of KSR1/MEK1 complex heterotetramer with NST-628 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Quade, B, Huang, X. | | 登録日 | 2024-03-06 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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9AXY
 | | Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ... | | 著者 | Quade, B, Huang, X. | | 登録日 | 2024-03-06 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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9AXC
 | | Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide | | 著者 | Quade, B, Cohen, S.E, Huang, X. | | 登録日 | 2024-03-06 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4.16 Å) | | 主引用文献 | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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9AXM
 | | Crystal structure of ARAF/MEK1 complex with NST-628 and a RAF dimer | | 分子名称: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, ... | | 著者 | Quade, B, Huang, X. | | 登録日 | 2024-03-06 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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