6QHD
| Lysine acetylated and tyrosine phosphorylated STAT3 in a complex with DNA | 分子名称: | DNA (5'-D(*AP*AP*GP*AP*TP*TP*TP*AP*CP*GP*GP*GP*AP*AP*AP*TP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3 | 著者 | Arbely, E, Belo, Y, Shahar, A, Zarivach, R. | 登録日 | 2019-01-16 | 公開日 | 2019-06-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Unexpected implications of STAT3 acetylation revealed by genetic encoding of acetyl-lysine. Biochim Biophys Acta Gen Subj, 1863, 2019
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3CXL
| Crystal structure of human chimerin 1 (CHN1) | 分子名称: | N-chimerin, UNKNOWN ATOM OR ION, ZINC ION | 著者 | Shen, L, Buck, M, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2008-04-24 | 公開日 | 2008-08-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of human chimerin 1 (CHN1). To be Published
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4H1O
| Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation | 分子名称: | 1,2-ETHANEDIOL, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | 登録日 | 2012-09-11 | 公開日 | 2013-09-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation To be Published
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3BKB
| Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES) | 分子名称: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, ... | 著者 | Filippakopoulos, P, Salah, E, Fedorov, O, Cooper, C, Ugochukwu, E, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2007-12-06 | 公開日 | 2007-12-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation Cell(Cambridge,Mass.), 134, 2008
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5MO4
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8GUB
| Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719 | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2022-09-11 | 公開日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (2.73 Å) | 主引用文献 | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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4U5W
| Crystal Structure of HIV-1 Nef-SF2 Core Domain in Complex with the Src Family Kinase Hck SH3-SH2 Tandem Regulatory Domains | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, Protein Nef, ... | 著者 | Alvarado, J.J, Yeh, J.I, Smithgall, T.E. | 登録日 | 2014-07-25 | 公開日 | 2014-08-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Interaction with the Src Homology (SH3-SH2) Region of the Src-family Kinase Hck Structures the HIV-1 Nef Dimer for Kinase Activation and Effector Recruitment. J.Biol.Chem., 289, 2014
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7XHQ
| Small-molecule Allosteric Regulation Mechanism of SHP2 | 分子名称: | 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Luo, Y, Zhu, J, Yu, K, Liu, B. | 登録日 | 2022-04-09 | 公開日 | 2023-02-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of the SHP2 allosteric inhibitor 2-((3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-(2,3-dichlorophenyl)-3-methylpyrrolo[2,1-f][1,2,4] triazin-4(3H)-one. J Enzyme Inhib Med Chem, 38, 2023
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8GMB
| Crystal structure of the full-length Bruton's tyrosine kinase (PH-TH domain not visible) | 分子名称: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, Tyrosine-protein kinase BTK | 著者 | Lin, D.Y, Andreotti, A.H. | 登録日 | 2023-03-24 | 公開日 | 2023-08-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states. Elife, 12, 2024
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7UBT
| Stat5a Core in complex with Compound 18 | 分子名称: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2022-03-15 | 公開日 | 2023-02-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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7UC6
| Stat5a Core in complex with Compound 12 | 分子名称: | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2022-03-16 | 公開日 | 2023-02-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (3.101 Å) | 主引用文献 | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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8GWW
| Small-molecule Allosteric Regulation Mechanism of SHP2 | 分子名称: | 2-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Luo, Y, Zhu, J, Yu, K, Liu, B. | 登録日 | 2022-09-17 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Small-molecule Allosteric Regulation Mechanism of SHP2 To Be Published
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4WAF
| Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha | 分子名称: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Knapp, M.S, Elling, R.A. | 登録日 | 2014-08-29 | 公開日 | 2014-12-31 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors. Acs Med.Chem.Lett., 6, 2015
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8H37
| Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a tetrameric complex | 分子名称: | Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ... | 著者 | Hu, Y, Mao, Q, Chen, Z, Sun, L. | 登録日 | 2022-10-08 | 公開日 | 2023-10-11 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (7.52 Å) | 主引用文献 | Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2. Nat.Struct.Mol.Biol., 31, 2024
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8H36
| Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a dimeric complex | 分子名称: | Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ... | 著者 | Hu, Y, Mao, Q, Chen, Z, Sun, L. | 登録日 | 2022-10-08 | 公開日 | 2023-10-11 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2. Nat.Struct.Mol.Biol., 31, 2024
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7VXG
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5M6U
| HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | 分子名称: | 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A. | 登録日 | 2016-10-26 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
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4FL3
| Structural and Biophysical Characterization of the Syk Activation Switch | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK | 著者 | Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A. | 登録日 | 2012-06-14 | 公開日 | 2012-11-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and biophysical characterization of the syk activation switch. J.Mol.Biol., 425, 2013
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4FL2
| Structural and Biophysical Characterization of the Syk Activation Switch | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK | 著者 | Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A. | 登録日 | 2012-06-14 | 公開日 | 2012-11-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structural and biophysical characterization of the syk activation switch. J.Mol.Biol., 425, 2013
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6UX2
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7T8T
| CryoEM structure of PLCg1 | 分子名称: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma, CALCIUM ION | 著者 | Endo-Streeter, S, Sondek, J. | 登録日 | 2021-12-17 | 公開日 | 2022-12-21 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | 主引用文献 | CryoEM structure of PLCg1 To Be Published
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7TZ7
| PI3K alpha in complex with an inhibitor | 分子名称: | (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Knapp, M.S, Tang, J. | 登録日 | 2022-02-15 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J.Med.Chem., 65, 2022
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7TVB
| Stat5A Core in Complex with AK305 | 分子名称: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2022-02-04 | 公開日 | 2023-02-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.653 Å) | 主引用文献 | A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo. Nat.Chem.Biol., 19, 2023
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7TVA
| Stat5a Core in complex with AK2292 | 分子名称: | DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ... | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2022-02-04 | 公開日 | 2023-02-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.835 Å) | 主引用文献 | A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo. Nat.Chem.Biol., 19, 2023
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7MYO
| Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | 登録日 | 2021-05-21 | 公開日 | 2021-11-10 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | 主引用文献 | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
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