1O42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o42 by Molmil](/molmil-images/mine/1o42) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU81843. | Descriptor: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
|
|
1O4E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4e by Molmil](/molmil-images/mine/1o4e) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78299. | Descriptor: | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
|
|
1O4R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4r by Molmil](/molmil-images/mine/1o4r) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78783. | Descriptor: | (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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
|
|
1O44
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o44 by Molmil](/molmil-images/mine/1o44) | Crystal structure of sh2 in complex with ru85052 | Descriptor: | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
|
|
1O48
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o48 by Molmil](/molmil-images/mine/1o48) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85053. | Descriptor: | 5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 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
|
|
1O4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4b by Molmil](/molmil-images/mine/1o4b) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU83876. | Descriptor: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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
|
|
1R1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r1s by Molmil](/molmil-images/mine/1r1s) | |
1R1P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r1p by Molmil](/molmil-images/mine/1r1p) | |
1RJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rja by Molmil](/molmil-images/mine/1rja) | |
1RPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rpy by Molmil](/molmil-images/mine/1rpy) | CRYSTAL STRUCTURE OF THE DIMERIC SH2 DOMAIN OF APS | Descriptor: | SULFATE ION, adaptor protein APS | Authors: | Hu, J, Liu, J, Ghirlando, R, Saltiel, A.R, Hubbard, S.R. | Deposit date: | 2003-12-03 | Release date: | 2003-12-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for recruitment of the adaptor protein APS to the activated insulin receptor. Mol.Cell, 12, 2003
|
|
1OO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oo3 by Molmil](/molmil-images/mine/1oo3) | |
1OO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oo4 by Molmil](/molmil-images/mine/1oo4) | |
1QAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qad by Molmil](/molmil-images/mine/1qad) | Crystal Structure of the C-Terminal SH2 Domain of the P85 alpha Regulatory Subunit of Phosphoinositide 3-Kinase: An SH2 domain mimicking its own substrate | Descriptor: | PI3-KINASE P85 ALPHA SUBUNIT | Authors: | Hoedemaeker, P.J, Siegal, G, Roe, M, Driscoll, P.C, Abrahams, J.P.A. | Deposit date: | 1999-02-26 | Release date: | 1999-10-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the C-terminal SH2 domain of the p85alpha regulatory subunit of phosphoinositide 3-kinase: an SH2 domain mimicking its own substrate. J.Mol.Biol., 292, 1999
|
|
4WAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4waf by Molmil](/molmil-images/mine/4waf) | Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha | Descriptor: | 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 | Authors: | Knapp, M.S, Elling, R.A. | Deposit date: | 2014-08-29 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors. Acs Med.Chem.Lett., 6, 2015
|
|
5XZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xzr by Molmil](/molmil-images/mine/5xzr) | The atomic structure of SHP2 E76A mutant in complex with allosteric inhibitor 9b | Descriptor: | 4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Li, D, Xie, J, Zhu, J, Liu, C. | Deposit date: | 2017-07-13 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Allosteric Inhibitors of SHP2 with Therapeutic Potential for Cancer Treatment. J. Med. Chem., 60, 2017
|
|
4A55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a55 by Molmil](/molmil-images/mine/4a55) | Crystal structure of p110alpha in complex with iSH2 of p85alpha and the inhibitor PIK-108 | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT ALPHA, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM, PIK-108 | Authors: | Hon, W.-C, Berndt, A, Williams, R.L. | Deposit date: | 2011-10-24 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Regulation of Lipid Binding Underlies the Activation Mechanism of Class Ia Pi3-Kinases. Oncogene, 31, 2012
|
|
6JMF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jmf by Molmil](/molmil-images/mine/6jmf) | |
7JVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jvn by Molmil](/molmil-images/mine/7jvn) | |
7EMN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7emn by Molmil](/molmil-images/mine/7emn) | The atomic structure of SHP2 E76A mutant | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Luo, F, Xie, J.J, Zhu, J.D, Liu, C. | Deposit date: | 2021-04-14 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism. J.Biol.Chem., 296, 2021
|
|
5M6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m6u by Molmil](/molmil-images/mine/5m6u) | HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | Descriptor: | 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 | Authors: | Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A. | Deposit date: | 2016-10-26 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
|
|
7JVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jvm by Molmil](/molmil-images/mine/7jvm) | |
8ILR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ilr by Molmil](/molmil-images/mine/8ilr) | Cryo-EM structure of PI3Kalpha in complex with compound 16 | Descriptor: | 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 | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8ILV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ilv by Molmil](/molmil-images/mine/8ilv) | Cryo-EM structure of PI3Kalpha in complex with compound 18 | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(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 | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6TLC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tlc by Molmil](/molmil-images/mine/6tlc) | Unphosphorylated human STAT3 in complex with MS3-6 monobody | Descriptor: | Monobody, Signal transducer and activator of transcription 3 | Authors: | La Sala, G, Lau, K, Reynaud, A, Pojer, F, Hantschel, O. | Deposit date: | 2019-12-02 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Selective inhibition of STAT3 signaling using monobodies targeting the coiled-coil and N-terminal domains. Nat Commun, 11, 2020
|
|
8ILS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ils by Molmil](/molmil-images/mine/8ils) | Cryo-EM structure of PI3Kalpha in complex with compound 17 | Descriptor: | N-[(2R)-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 | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|