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6NJS
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BU of 6njs by Molmil
Stat3 Core in complex with compound SD36
Descriptor: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2019-01-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
6NUQ
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BU of 6nuq by Molmil
Stat3 Core in complex with compound SI109
Descriptor: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2019-02-01
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
4ZIA
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BU of 4zia by Molmil
Crystal Structure of STAT3 N-terminal domain
Descriptor: FORMIC ACID, MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Hu, T, Chopra, R.
Deposit date:2015-04-28
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Impact of the N-Terminal Domain of STAT3 in STAT3-Dependent Transcriptional Activity.
Mol.Cell.Biol., 35, 2015
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
6TLC
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BU of 6tlc by Molmil
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
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
4E68
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BU of 4e68 by Molmil
Unphosphorylated STAT3B core protein binding to dsDNA
Descriptor: 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:Collie, G.W, Parkinson, G.N, Shah, R.
Deposit date:2012-03-15
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.585 Å)
Cite:Observation of unphosphorylated STAT3 core protein binding to target dsDNA by PEMSA and X-ray crystallography.
Febs Lett., 587, 2013
5U5S
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BU of 5u5s by Molmil
Solution structures of Brd2 second bromodomain in complex with stat3 peptide
Descriptor: Bromodomain-containing protein 2, Stat3 peptide
Authors:Zeng, L, Zhou, M.-M.
Deposit date:2016-12-07
Release date:2017-03-22
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Distinct Roles of Brd2 and Brd4 in Potentiating the Transcriptional Program for Th17 Cell Differentiation.
Mol. Cell, 65, 2017
6DLG
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BU of 6dlg by Molmil
Crystal structure of a SHIP1 surface entropy reduction mutant
Descriptor: ISOPROPYL ALCOHOL, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Gardill, B.R, Cheung, S.T, Mui, A.L, Van Petegem, F.
Deposit date:2018-06-01
Release date:2019-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Interleukin-10 and Small Molecule SHIP1 Allosteric Regulators Trigger Anti-Inflammatory Effects Through SHIP1/STAT3 Complexes
Biorxiv, 2020
1BG1
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BU of 1bg1 by Molmil
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
8DH9
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BU of 8dh9 by Molmil
Leptin-bound leptin receptor complex-D3-D7
Descriptor: Leptin, Leptin receptor
Authors:Saxton, R.A, Caveney, N.A, Garcia, K.C.
Deposit date:2022-06-25
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural insights into the mechanism of leptin receptor activation.
Nat Commun, 14, 2023
8DHA
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BU of 8dha by Molmil
Leptin-bound leptin receptor complex- focused interaction
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Leptin, Leptin receptor
Authors:Saxton, R.A, Caveney, N.A, Garcia, K.C.
Deposit date:2022-06-25
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural insights into the mechanism of leptin receptor activation.
Nat Commun, 14, 2023
8DH8
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BU of 8dh8 by Molmil
Leptin-bound leptin receptor complex-full ECD
Descriptor: Leptin, Leptin receptor
Authors:Saxton, R.A, Caveney, N.A, Garcia, K.C.
Deposit date:2022-06-25
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Structural insights into the mechanism of leptin receptor activation.
Nat Commun, 14, 2023
7C4O
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BU of 7c4o by Molmil
Solution structure of the Orange domain from human protein HES1
Descriptor: Transcription factor HES-1
Authors:Fan, J.S, Nayak, A, Swaminathan, K.
Deposit date:2020-05-18
Release date:2021-05-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Induction of Transcriptional Inhibitor Hairy and Enhancer of Split Homolog-1 and the Related Repression of Tumor-Suppressor Thioredoxin-Interacting Protein Are Important Components of Cell-Transformation Program Imposed by Oncogenic Kinase Nucleophosmin-Anaplastic Lymphoma Kinase.
Am J Pathol, 2022
6GFA
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BU of 6gfa by Molmil
Structure of Nucleotide binding domain of HSP110, ATP and Mg2+ complexed
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 105 kDa, MAGNESIUM ION
Authors:Gonzalez, D, Gotthard, G, Gozzi, G.J, Seigneuric, R, Neiers, F, Briand, L, Garrido, C.
Deposit date:2018-04-29
Release date:2019-05-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selecting the first chemical molecule inhibitor of HSP110 for colorectal cancer therapy.
Cell Death Differ., 27, 2020
6WEO
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BU of 6weo by Molmil
IL-22 Signaling Complex with IL-22R1 and IL-10Rbeta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Saxton, R.A, Jude, K.M, Henneberg, L.T, Garcia, K.C.
Deposit date:2020-04-02
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The tissue protective functions of interleukin-22 can be decoupled from pro-inflammatory actions through structure-based design.
Immunity, 54, 2021
2IZV
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BU of 2izv by Molmil
CRYSTAL STRUCTURE OF SOCS-4 IN COMPLEX WITH ELONGIN-B AND ELONGIN-C AT 2.55A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Debreczeni, J.E, Bullock, A, Papagrigoriou, E, Turnbull, A, Pike, A.C.W, Gorrec, F, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Knapp, S.
Deposit date:2006-07-26
Release date:2006-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of the SOCS4-ElonginB/C complex reveals a distinct SOCS box interface and the molecular basis for SOCS-dependent EGFR degradation.
Structure, 15, 2007
7OR6
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BU of 7or6 by Molmil
The crystal structure of the domain-swapped dimer of onconase
Descriptor: Protein P-30
Authors:Merlino, A, Loreto, D.
Deposit date:2021-06-04
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The crystal structure of the domain-swapped dimer of onconase highlights some catalytic and antitumor activity features of the enzyme.
Int.J.Biol.Macromol., 191, 2021
7ORD
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BU of 7ord by Molmil
The crystal structure of the domain-swapped dimer of onconase (2)
Descriptor: ACETATE ION, Protein P-30, SULFATE ION
Authors:Merlino, A, Loreto, D.
Deposit date:2021-06-05
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:The crystal structure of the domain-swapped dimer of onconase highlights some catalytic and antitumor activity features of the enzyme.
Int.J.Biol.Macromol., 191, 2021
8AVG
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BU of 8avg by Molmil
Cryo-EM structure of mouse Elp123 with bound SAM
Descriptor: Elongator complex protein 1, Elongator complex protein 2, Elongator complex protein 3, ...
Authors:Jaciuk, M, Scherf, D, Kaszuba, K, Gaik, M, Koscielniak, A, Krutyholowa, R, Rawski, M, Indyka, P, Biela, A, Dobosz, D, Lin, T.-Y, Abbassi, N, Hammermeister, A, Chramiec-Glabik, A, Kosinski, J, Schaffrath, R, Glatt, S.
Deposit date:2022-08-26
Release date:2022-12-07
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (4.01 Å)
Cite:Cryo-EM structure of the fully assembled Elongator complex.
Nucleic Acids Res., 51, 2023
7U7N
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BU of 7u7n by Molmil
IL-27 quaternary receptor signaling complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 receptor subunit alpha, ...
Authors:Caveney, N.A, Glassman, C.R, Jude, K.M, Tsutsumi, N, Garcia, K.C.
Deposit date:2022-03-07
Release date:2022-05-25
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structure of the IL-27 quaternary receptor signaling complex.
Elife, 11, 2022
5FUC
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BU of 5fuc by Molmil
Biophysical and cellular characterisation of a junctional epitope antibody that locks IL-6 and gp80 together in a stable complex: implications for new therapeutic strategies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, INTERLEUKIN-6, INTERLEUKIN-6 RECEPTOR SUBUNIT ALPHA, ...
Authors:Adams, R, Griffin, R, Doyle, C, Ettorre, A.
Deposit date:2016-01-25
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of a junctional epitope antibody that stabilizes IL-6 and gp80 protein:protein interaction and modulates its downstream signaling.
Sci Rep, 7, 2017
3ZMM
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BU of 3zmm by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE, ACETYL GROUP, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J, Green, I, Pollard, H, Howard, T, Mott, R.
Deposit date:2013-02-11
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery of Novel Jak2-Stat Pathway Inhibitors with Extended Residence Time on Target.
Bioorg.Med.Chem.Lett., 23, 2013
6SMB
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BU of 6smb by Molmil
Human jak1 kinase domain in complex with inhibitor
Descriptor: Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
Authors:Read, J.A, Steuber, H.
Deposit date:2019-08-21
Release date:2020-04-29
Last modified:2020-05-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
6SM8
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BU of 6sm8 by Molmil
Human jak1 kinase domain in complex with inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile, Tyrosine-protein kinase JAK1
Authors:Read, J.A, Steuber, H.
Deposit date:2019-08-21
Release date:2020-04-29
Last modified:2020-05-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020

 

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