7JVM
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![BU of 7jvm by Molmil](/molmil-images/mine/7jvm) | |
7NUF
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![BU of 7nuf by Molmil](/molmil-images/mine/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
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7NXE
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![BU of 7nxe by Molmil](/molmil-images/mine/7nxe) | |
7M6T
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![BU of 7m6t by Molmil](/molmil-images/mine/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
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7O3D
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![BU of 7o3d by Molmil](/molmil-images/mine/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
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7O6B
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![BU of 7o6b by Molmil](/molmil-images/mine/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
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7EMN
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![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
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7MP3
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![BU of 7mp3 by Molmil](/molmil-images/mine/7mp3) | |
7MPH
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![BU of 7mph by Molmil](/molmil-images/mine/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
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7MYO
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![BU of 7myo by Molmil](/molmil-images/mine/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
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7MYN
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![BU of 7myn by Molmil](/molmil-images/mine/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
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7R7I
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![BU of 7r7i by Molmil](/molmil-images/mine/7r7i) | Structure of human SHP2 in complex with compound 27 | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol | 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 (2.85 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
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7R75
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![BU of 7r75 by Molmil](/molmil-images/mine/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
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7R7D
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![BU of 7r7d by Molmil](/molmil-images/mine/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
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7R7L
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![BU of 7r7l by Molmil](/molmil-images/mine/7r7l) | Structure of human SHP2 in complex with compound 30 | Descriptor: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-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 (3 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
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7R8X
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![BU of 7r8x by Molmil](/molmil-images/mine/7r8x) | |
7R8W
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![BU of 7r8w by Molmil](/molmil-images/mine/7r8w) | |
7RCT
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![BU of 7rct by Molmil](/molmil-images/mine/7rct) | |
7RNV
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![BU of 7rnv by Molmil](/molmil-images/mine/7rnv) | |
7RNS
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![BU of 7rns by Molmil](/molmil-images/mine/7rns) | |
7RNU
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![BU of 7rnu by Molmil](/molmil-images/mine/7rnu) | |
7PG5
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![BU of 7pg5 by Molmil](/molmil-images/mine/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
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7PG6
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![BU of 7pg6 by Molmil](/molmil-images/mine/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
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7SA7
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![BU of 7sa7 by Molmil](/molmil-images/mine/7sa7) | |
7Q5U
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![BU of 7q5u by Molmil](/molmil-images/mine/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
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