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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1A1E
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2H8H
 | | Src kinase in complex with a quinazoline inhibitor | | 分子名称: | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Otterbein, L.R, Norman, R, Pauptit, R.A, Rowsell, S, Breed, J. | | 登録日 | 2006-06-07 | | 公開日 | 2006-11-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor.
J.Med.Chem., 49, 2006
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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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6BMR
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP244 | | 分子名称: | 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Stams, T, Fodor, M. | | 登録日 | 2017-11-15 | | 公開日 | 2018-01-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.205 Å) | | 主引用文献 | Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
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6MDA
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6CMR
 | | Closed structure of active SHP2 mutant E76D bound to SHP099 inhibitor | | 分子名称: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, 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 (2.21 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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3VRZ
 | | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea | | 分子名称: | 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S. | | 登録日 | 2012-04-21 | | 公開日 | 2013-05-01 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.218 Å) | | 主引用文献 | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
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7ZLO
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 12 | | 分子名称: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | 著者 | Ramachandran, S, Ciulli, A, Makukhin, N. | | 登録日 | 2022-04-15 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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6BN5
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 F285S in Complex with Allosteric Inhibitor JLR-2 | | 分子名称: | 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R. | | 登録日 | 2017-11-16 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2.
Bioorg. Med. Chem., 25, 2017
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5DC0
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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 | | 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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1CWD
 | | HUMAN P56LCK TYROSINE KINASE COMPLEXED WITH PHOSPHOPEPTIDE | | 分子名称: | (PHOSPHONOMETHYL)PHENYLALANINE-CONTAINING PEPTIDE PRO-GLU-GLY-ASP-PM3-GLU-GLU-VAL-LEU, P56LCK TYROSINE KINASE | | 著者 | Mikol, V. | | 登録日 | 1995-09-06 | | 公開日 | 1996-12-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | The crystal structures of the SH2 domain of p56lck complexed with two phosphopeptides suggest a gated peptide binding site.
J.Mol.Biol., 246, 1995
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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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5BK8
 | | Cancer-associated SHP2/T507K mutant | | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Yu, Z.H, Zhang, R.Y, Zhang, Z.Y. | | 登録日 | 2019-06-01 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Mechanistic insights explain the transforming potential of the T507K substitution in the protein-tyrosine phosphatase SHP2.
J.Biol.Chem., 295, 2020
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1BG1
 | | TRANSCRIPTION FACTOR STAT3B/DNA COMPLEX | | 分子名称: | DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), PROTEIN (TRANSCRIPTION FACTOR STAT3B) | | 著者 | Becker, S, Groner, B, Muller, C.W. | | 登録日 | 1998-06-03 | | 公開日 | 1999-01-13 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Three-dimensional structure of the Stat3beta homodimer bound to DNA.
Nature, 394, 1998
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2FO0
 | | Organization of the SH3-SH2 Unit in Active and Inactive Forms of the c-Abl Tyrosine Kinase | | 分子名称: | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, GLYCEROL, MYRISTIC ACID, ... | | 著者 | Nagar, B, Hantschel, O, Seeliger, M, Davies, J.M, Weis, W.I, Superti-Furga, G, Kuriyan, J. | | 登録日 | 2006-01-12 | | 公開日 | 2006-03-21 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Organization of the SH3-SH2 unit in active and inactive forms of the c-Abl tyrosine kinase.
Mol.Cell, 21, 2006
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8T8Q
 | | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | | 分子名称: | 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Tang, Y, Nguyen, V, Wilbur, J.D. | | 登録日 | 2023-06-23 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
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8SBC
 | | Co-structure of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform and brain penetrant inhibitors | | 分子名称: | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | 著者 | Knapp, M.S, Elling, R.A, Tang, J. | | 登録日 | 2023-04-03 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023
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1CWE
 | | HUMAN P56LCK TYROSINE KINASE COMPLEXED WITH PHOSPHOPEPTIDE | | 分子名称: | P56LCK TYROSINE KINASE, PHOSPHOPEPTIDE ACQ-PMP-GLU-GLU-ILE-PRO | | 著者 | Mikol, V. | | 登録日 | 1995-09-06 | | 公開日 | 1996-12-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The crystal structures of the SH2 domain of p56lck complexed with two phosphopeptides suggest a gated peptide binding site.
J.Mol.Biol., 246, 1995
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2C0I
 | | Src family kinase Hck with bound inhibitor A-420983 | | 分子名称: | CALCIUM ION, N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | | 著者 | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | | 登録日 | 2005-09-03 | | 公開日 | 2006-09-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
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8DGO
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7R8X
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3MXY
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4DGX
 | | LEOPARD Syndrome-Associated SHP2/Y279C mutant | | 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 | 2012-01-27 | | 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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