1O48
 
 | | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85053. | | 分子名称: | 5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | 著者 | Lange, G, Loenze, P, Liesum, A. | | 登録日 | 2003-06-15 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
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1O4O
 | | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PHENYLPHOSPHATE. | | 分子名称: | PHENYL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | 著者 | Lange, G, Loenze, P, Liesum, A. | | 登録日 | 2003-06-15 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
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1O41
 | | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78300. | | 分子名称: | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | 著者 | Lange, G, Loenze, P, Liesum, A. | | 登録日 | 2003-06-15 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
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1O47
 | | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82209. | | 分子名称: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | 著者 | Lange, G, Loenze, P, Liesum, A. | | 登録日 | 2003-06-15 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
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1NZL
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1O46
 | | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU90395. | | 分子名称: | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-METHOXYCARBONYL-PHENYL}-2-FLUORO-MALONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | 著者 | Lange, G, Loenze, P, Liesum, A. | | 登録日 | 2003-06-15 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
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1O4H
 | | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79072. | | 分子名称: | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | 著者 | Lange, G, Loenze, P, Liesum, A. | | 登録日 | 2003-06-15 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
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1O4L
 | | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH FRAGMENT2. | | 分子名称: | CITRIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | 著者 | Lange, G, Loenze, P, Liesum, A. | | 登録日 | 2003-06-15 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
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1O42
 | | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU81843. | | 分子名称: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | 著者 | Lange, G, Loenze, P, Liesum, A. | | 登録日 | 2003-06-15 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
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1O4E
 | | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78299. | | 分子名称: | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | 著者 | Lange, G, Loenze, P, Liesum, A. | | 登録日 | 2003-06-15 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
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1O4R
 | | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78783. | | 分子名称: | (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | 著者 | Lange, G, Loenze, P, Liesum, A. | | 登録日 | 2003-06-15 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
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1O4B
 | | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU83876. | | 分子名称: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | 著者 | Lange, G, Loenze, P, Liesum, A. | | 登録日 | 2003-06-15 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
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1OO3
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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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4LUE
 | | Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002) | | 分子名称: | 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | 登録日 | 2013-07-25 | | 公開日 | 2014-02-12 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | | 主引用文献 | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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8CBH
 | | SHP2 in complex with a novel allosteric inhibitor | | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11, [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine | | 著者 | di Fabio, R, Petrocchi, A. | | 登録日 | 2023-01-25 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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6NUQ
 | | Stat3 Core in complex with compound SI109 | | 分子名称: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2019-02-01 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
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1Y1U
 | | Structure of unphosphorylated STAT5a | | 分子名称: | Signal transducer and activator of transcription 5A | | 著者 | Neculai, D, Neculai, A.M, Verrier, S, Straub, K, Klumpp, K, Pfitzner, E, Becker, S. | | 登録日 | 2004-11-19 | | 公開日 | 2005-10-04 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | | 主引用文献 | Structure of the unphosphorylated STAT5a dimer
J.Biol.Chem., 280, 2005
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8ILR
 | | Cryo-EM structure of PI3Kalpha in complex with compound 16 | | 分子名称: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | 登録日 | 2023-03-04 | | 公開日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4DGP
 | | The wild-type Src homology 2 (SH2)-domain containing protein tyrosine phosphatase-2 (SHP2) | | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y. | | 登録日 | 2012-01-26 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
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7PG5
 | | Crystal Structure of PI3Kalpha | | 分子名称: | GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. | | 登録日 | 2021-08-13 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.20029068 Å) | | 主引用文献 | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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6CRF
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6CMQ
 | | Structure of human SHP2 without N-SH2 domain | | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | | 登録日 | 2018-03-06 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
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8WX7
 | | Crystal structure of SHP2 in complex with JAB-3186 | | 分子名称: | (5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Ma, C, Gao, P, Kang, D, Han, H, Sun, X, Zhang, W, Qian, D, Wang, Y, Long, W. | | 登録日 | 2023-10-27 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Discovery of JAB-3312, a Potent SHP2 Allosteric Inhibitor for Cancer Treatment.
J.Med.Chem., 67, 2024
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7O3D
 | | Cooperation between the intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly | | 分子名称: | Transcription elongation factor SPT6 | | 著者 | Kasiliauskaite, A, Kubicek, K, Klumpler, T, Zanova, M, Zapletal, D, Novacek, J, Stefl, R. | | 登録日 | 2021-04-01 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-06-15 | | 実験手法 | ELECTRON MICROSCOPY (3.71 Å) | | 主引用文献 | Cooperation between intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly.
Nucleic Acids Res., 50, 2022
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