7R7D
 
 | | Structure of human SHP2 in complex with compound 22 | | Descriptor: | 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Leonard, P.G, Cross, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
|
|
7R75
 | | Structure of human SHP2 in complex with compound 16 | | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Leonard, P.G, Cross, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
|
|
7Q63
 | | The tandem SH2 domains of SYK | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-05 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The tandem SH2 domains of SYK
To Be Published
|
|
7Q5W
 | | The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-04 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The tandem SH2 domains of SYK
To Be Published
|
|
7Q5U
 | | The tandem SH2 domains of SYK with a bound CD3G diphospho-ITAM peptide | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-04 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The tandem SH2 domains of SYK
To Be Published
|
|
7Q5T
 | | The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-04 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The tandem SH2 domains of SYK
To Be Published
|
|
7PG6
 | | Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719 | | Descriptor: | (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, ... | | Authors: | Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. | | Deposit date: | 2021-08-13 | | Release date: | 2022-08-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.49943733 Å) | | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
|
|
7PG5
 | | Crystal Structure of PI3Kalpha | | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. | | Deposit date: | 2021-08-13 | | Release date: | 2022-08-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.20029068 Å) | | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
|
|
7O6B
 | | Cooperation between the intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly | | Descriptor: | Transcription elongation factor SPT6 | | Authors: | Kasiliauskaite, A, Kubicek, K, Klumpler, T, Zanova, M, Zapletal, D, Novacek, J, Stefl, R. | | Deposit date: | 2021-04-09 | | Release date: | 2022-04-20 | | Last modified: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Cooperation between intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly.
Nucleic Acids Res., 50, 2022
|
|
7O3D
 | | Cooperation between the intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly | | Descriptor: | Transcription elongation factor SPT6 | | Authors: | Kasiliauskaite, A, Kubicek, K, Klumpler, T, Zanova, M, Zapletal, D, Novacek, J, Stefl, R. | | Deposit date: | 2021-04-01 | | Release date: | 2022-04-13 | | Last modified: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (3.71 Å) | | Cite: | Cooperation between intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly.
Nucleic Acids Res., 50, 2022
|
|
7NXE
 | |
7NUF
 | | Vaccinia virus protein 018 in complex with STAT1 | | Descriptor: | ACETYL GROUP, SULFATE ION, Signal transducer and activator of transcription 1-alpha/beta, ... | | Authors: | Pantelejevs, T, Talbot-Cooper, C, Smith, G.L, Hyvonen, M. | | Deposit date: | 2021-03-12 | | Release date: | 2021-07-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.0004015 Å) | | Cite: | Poxviruses and paramyxoviruses use a conserved mechanism of STAT1 antagonism to inhibit interferon signaling.
Cell Host Microbe, 30, 2022
|
|
7MYO
 | | Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 | | Descriptor: | (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 | | Authors: | 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. | | Deposit date: | 2021-05-21 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7MYN
 | | Cryo-EM Structure of p110alpha in complex with p85alpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | 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. | | Deposit date: | 2021-05-21 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7MPH
 | | GRB2 SH2 Domain with Compound 7 | | Descriptor: | (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid, 1,2-ETHANEDIOL, Growth factor receptor-bound protein 2, ... | | Authors: | Sun, L, Schonbrunn, E. | | Deposit date: | 2021-05-04 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis and structural characterization of a monocarboxylic inhibitor for GRB2 SH2 domain.
Bioorg.Med.Chem.Lett., 51, 2021
|
|
7MP3
 | |
7M6T
 | | Crystal structure of SOCS2/ElonginB/ElonginC bound to a non-canonical peptide that enhances phospho-peptide binding | | Descriptor: | Elongin-B, Elongin-C, Non-canonical peptide F3, ... | | Authors: | Kershaw, N.J, Li, K, Linossi, E.M, Nicholson, S.E. | | Deposit date: | 2021-03-26 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.194 Å) | | Cite: | Discovery of an exosite on the SOCS2-SH2 domain that enhances SH2 binding to phosphorylated ligands.
Nat Commun, 12, 2021
|
|
7JVN
 | |
7JVM
 | |
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
|
|
7CIO
 | | Molecular interactions of cytoplasmic region of CTLA-4 with SH2 domains of PI3-kinase | | Descriptor: | Cytotoxic T-lymphocyte protein 4, Phosphatidylinositol 3-kinase regulatory subunit alpha | | Authors: | Iiyama, M, Numoto, N, Ogawa, S, Kuroda, M, Morii, H, Abe, R, Ito, N, Oda, M. | | Deposit date: | 2020-07-08 | | Release date: | 2020-12-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Molecular interactions of the CTLA-4 cytoplasmic region with the phosphoinositide 3-kinase SH2 domains.
Mol.Immunol., 131, 2021
|
|
6WU8
 | | Structure of human SHP2 in complex with inhibitor IACS-13909 | | Descriptor: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Leonard, P.G, Joseph, S, Rodenberger, A. | | Deposit date: | 2020-05-04 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
|
|
6WO2
 | |
6WM1
 | |
6WCZ
 | | CryoEM structure of full-length ZIKV NS5-hSTAT2 complex | | Descriptor: | Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION | | Authors: | Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S. | | Deposit date: | 2020-03-31 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
|
|
