PDB: 594 resultsInfo pagesStatus searchChemie searchBIRD

---

8TS9	Human PI3K p85alpha/p110alpha H1047R bound to compound 1 Descriptor: 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Authors: Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. Deposit date: 2023-08-11 Release date: 2023-11-22 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.83 Å) Cite: Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
8TU6	CryoEM structure of PI3Kalpha Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Authors: Valverde, R, Shi, H, Holliday, M. Deposit date: 2023-08-15 Release date: 2023-11-15 Last modified: 2024-02-21 Method: ELECTRON MICROSCOPY (3.12 Å) Cite: Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
8TSD	Human PI3K p85alpha/p110alpha bound to RLY-2608 Descriptor: N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Authors: Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. Deposit date: 2023-08-11 Release date: 2023-11-22 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
8U7W	Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 7 Descriptor: 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Mou, T.C. Deposit date: 2023-09-15 Release date: 2024-01-03 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors. Acs Med.Chem.Lett., 14, 2023
8U7X	Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 24 Descriptor: (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Mou, T.C. Deposit date: 2023-09-15 Release date: 2024-01-03 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors. Acs Med.Chem.Lett., 14, 2023
8S07	A fragment-based inhibitor of SHP2 Descriptor: 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0H	A fragment-based inhibitor of SHP2 Descriptor: 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8RZW	A fragment-based inhibitor of SHP2 Descriptor: 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8RZY	A fragment-based inhibitor of SHP2 Descriptor: 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S0S	A fragment-based inhibitor of SHP2 Descriptor: (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8S01	A fragment-based inhibitor of SHP2 Descriptor: 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
8T13	Cryo-EM structure of DENV2 NS5 in complex with human STAT2 with the N-terminal domain of STAT2 disordered Descriptor: Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION Authors: Biswal, M, Lu, J, Song, J. Deposit date: 2023-06-01 Release date: 2024-01-17 Method: ELECTRON MICROSCOPY (3.45 Å) Cite: Cryo-EM structure of DENV2 NS5 in complex with human STAT2 with the N-terminal domain of STAT2 disordered To Be Published
1AD5	SRC FAMILY KINASE HCK-AMP-PNP COMPLEX Descriptor: CALCIUM ION, HAEMATOPOETIC CELL KINASE HCK, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Sicheri, F, Moarefi, I, Kuriyan, J. Deposit date: 1997-02-20 Release date: 1997-05-15 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structure of the Src family tyrosine kinase Hck. Nature, 385, 1997
1A81	CRYSTAL STRUCTURE OF THE TANDEM SH2 DOMAIN OF THE SYK KINASE BOUND TO A DUALLY TYROSINE-PHOSPHORYLATED ITAM Descriptor: SYK KINASE, T-CELL SURFACE GLYCOPROTEIN CD3 EPSILON CHAIN Authors: Fuetterer, K, Waksman, G. Deposit date: 1998-03-31 Release date: 1998-10-21 Last modified: 2016-05-25 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural basis for Syk tyrosine kinase ubiquity in signal transduction pathways revealed by the crystal structure of its regulatory SH2 domains bound to a dually phosphorylated ITAM peptide. J.Mol.Biol., 281, 1998
1BG1	TRANSCRIPTION FACTOR STAT3B/DNA COMPLEX Descriptor: 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) Authors: Becker, S, Groner, B, Muller, C.W. Deposit date: 1998-06-03 Release date: 1999-01-13 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Three-dimensional structure of the Stat3beta homodimer bound to DNA. Nature, 394, 1998
1BF5	TYROSINE PHOSPHORYLATED STAT-1/DNA COMPLEX Descriptor: DNA (5'-D(*AP*CP*AP*GP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*G P*C)-3'), DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*AP*CP*GP*GP*GP*AP*AP*AP*CP*T P*G)-3'), SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION 1-ALPHA/BETA Authors: Kuriyan, J, Zhao, Y, Chen, X, Vinkemeier, U, Jeruzalmi, D, Darnell Jr, J.E. Deposit date: 1998-05-27 Release date: 1998-08-12 Last modified: 2022-12-21 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystal structure of a tyrosine phosphorylated STAT-1 dimer bound to DNA. Cell(Cambridge,Mass.), 93, 1998
1OPK	Structural basis for the auto-inhibition of c-Abl tyrosine kinase Descriptor: 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, GLYCEROL, MYRISTIC ACID, ... Authors: Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J. Deposit date: 2003-03-06 Release date: 2003-04-08 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural basis for the autoinhibition of c-Abl tyrosine kinase Cell(Cambridge,Mass.), 112, 2003
1QCF	CRYSTAL STRUCTURE OF HCK IN COMPLEX WITH A SRC FAMILY-SELECTIVE TYROSINE KINASE INHIBITOR Descriptor: 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Tyrosine-protein kinase HCK Authors: Schindler, T, Sicheri, F, Pico, A, Gazit, A, Levitzki, A, Kuriyan, J. Deposit date: 1999-05-04 Release date: 1999-06-08 Last modified: 2022-12-21 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of Hck in complex with a Src family-selective tyrosine kinase inhibitor. Mol.Cell, 3, 1999
1OPL	Structural basis for the auto-inhibition of c-Abl tyrosine kinase Descriptor: 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, MYRISTIC ACID, proto-oncogene tyrosine-protein kinase Authors: Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J. Deposit date: 2003-03-06 Release date: 2003-04-08 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (3.42 Å) Cite: Structural basis for the autoinhibition of c-Abl tyrosine kinase Cell(Cambridge,Mass.), 112, 2003

<9101112131415161718192021222324