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6I4X
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Crystal structure of SOCS2:Elongin C:Elongin B in complex with erythropoietin receptor peptide
Descriptor: DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ...
Authors:Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A.
Deposit date:2018-11-12
Release date:2019-05-29
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
4XEY
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BU of 4xey by Molmil
Crystal structure of an SH2-kinase domain construct of c-Abl tyrosine kinase
Descriptor: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase ABL1
Authors:Lorenz, S, Deng, P, Kuriyan, J.
Deposit date:2014-12-25
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.891 Å)
Cite:Crystal structure of an SH2-kinase construct of c-Abl and effect of the SH2 domain on kinase activity.
Biochem.J., 468, 2015
4YKN
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Pi3K alpha lipid kinase with Active Site Inhibitor
Descriptor: 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform fusion protein
Authors:Elkins, P.A.
Deposit date:2015-03-04
Release date:2015-06-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT).
Acs Med.Chem.Lett., 6, 2015
4XZ1
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ZAP-70-tSH2:Compound-B adduct
Descriptor: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol, Tyrosine-protein kinase ZAP-70, doubly phosphorylated ITAM peptide
Authors:Barros, T, Kuriyan, J, Winger, J.A, Visperas, P.R.
Deposit date:2015-02-03
Release date:2015-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding.
Biochem. J., 465, 2015
4Y5U
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Transcription factor
Descriptor: NICKEL (II) ION, Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-02-12
Release date:2016-02-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
6I5J
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BU of 6i5j by Molmil
Crystal structure of SOCS2:Elongin C:Elongin B in complex with growth hormone receptor peptide
Descriptor: COBALT (II) ION, Elongin-B, Elongin-C, ...
Authors:Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A.
Deposit date:2018-11-13
Release date:2019-05-29
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
4ZOP
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BU of 4zop by Molmil
Co-crystal Structure of Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor
Descriptor: (2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide, 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:2015-05-06
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Co-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitorCo-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor
To Be Published
4Y5W
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Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*GP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*CP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-02-12
Release date:2016-02-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
5BK8
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BU of 5bk8 by Molmil
Cancer-associated SHP2/T507K mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Zhang, Z.Y.
Deposit date:2019-06-01
Release date:2020-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanistic insights explain the transforming potential of the T507K substitution in the protein-tyrosine phosphatase SHP2.
J.Biol.Chem., 295, 2020
7M6T
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BU of 7m6t by Molmil
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
7MYN
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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
7MYO
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BU of 7myo by Molmil
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
5BO4
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BU of 5bo4 by Molmil
Structure of SOCS2:Elongin C:Elongin B from DMSO-treated crystals
Descriptor: Suppressor of cytokine signaling 2, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2
Authors:Gadd, M.S, Bulatov, E, Ciulli, A.
Deposit date:2015-05-27
Release date:2015-07-08
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Serendipitous SAD Solution for DMSO-Soaked SOCS2-ElonginC-ElonginB Crystals Using Covalently Incorporated Dimethylarsenic: Insights into Substrate Receptor Conformational Flexibility in Cullin RING Ligases.
Plos One, 10, 2015
6WCZ
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BU of 6wcz by Molmil
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
6WU8
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BU of 6wu8 by Molmil
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
6QHD
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BU of 6qhd by Molmil
Lysine acetylated and tyrosine phosphorylated STAT3 in a complex with DNA
Descriptor: DNA (5'-D(*AP*AP*GP*AP*TP*TP*TP*AP*CP*GP*GP*GP*AP*AP*AP*TP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3
Authors:Arbely, E, Belo, Y, Shahar, A, Zarivach, R.
Deposit date:2019-01-16
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Unexpected implications of STAT3 acetylation revealed by genetic encoding of acetyl-lysine.
Biochim Biophys Acta Gen Subj, 1863, 2019
4U5W
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BU of 4u5w by Molmil
Crystal Structure of HIV-1 Nef-SF2 Core Domain in Complex with the Src Family Kinase Hck SH3-SH2 Tandem Regulatory Domains
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, Protein Nef, ...
Authors:Alvarado, J.J, Yeh, J.I, Smithgall, T.E.
Deposit date:2014-07-25
Release date:2014-08-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Interaction with the Src Homology (SH3-SH2) Region of the Src-family Kinase Hck Structures the HIV-1 Nef Dimer for Kinase Activation and Effector Recruitment.
J.Biol.Chem., 289, 2014
8GMB
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BU of 8gmb by Molmil
Crystal structure of the full-length Bruton's tyrosine kinase (PH-TH domain not visible)
Descriptor: 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, Tyrosine-protein kinase BTK
Authors:Lin, D.Y, Andreotti, A.H.
Deposit date:2023-03-24
Release date:2023-08-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024
5XZR
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BU of 5xzr by Molmil
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
3CD3
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BU of 3cd3 by Molmil
Crystal structure of phosphorylated human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide
Descriptor: CHLORIDE ION, Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, ...
Authors:Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-02-26
Release date:2008-03-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation
Cell(Cambridge,Mass.), 134, 2008
3CBL
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BU of 3cbl by Molmil
Crystal structure of human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide
Descriptor: Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, Synthetic peptide
Authors:Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-02-22
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation
Cell(Cambridge,Mass.), 134, 2008
8GWW
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BU of 8gww by Molmil
Small-molecule Allosteric Regulation Mechanism of SHP2
Descriptor: 2-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11
Authors:Luo, Y, Zhu, J, Yu, K, Liu, B.
Deposit date:2022-09-17
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Small-molecule Allosteric Regulation Mechanism of SHP2
To Be Published
8H36
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BU of 8h36 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a dimeric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H37
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Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a tetrameric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.52 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
3CWG
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BU of 3cwg by Molmil
Unphosphorylated mouse STAT3 core fragment
Descriptor: Signal transducer and activator of transcription 3
Authors:Ren, Z, Mao, X, Mertens, C, Krishnaraj, R, Qin, J, Mandal, P.K, Romanowshi, M.J, McMurray, J.S.
Deposit date:2008-04-21
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of unphosphorylated STAT3 core fragment.
Biochem.Biophys.Res.Commun., 374, 2008

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