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8C1Y
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BU of 8c1y by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 30)
Descriptor: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, [2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
Authors:Pennings, M.A.M, Visser, E.J, Ottmann, C.
Deposit date:2022-12-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
8BZH
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BU of 8bzh by Molmil
FC-NAc stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZD
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BU of 8bzd by Molmil
deAc-FC stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, De-acetylated Fusicoccin, ERalpha peptide, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZE
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BU of 8bze by Molmil
FC-J stabilizer for ERa and 14-3-3
Descriptor: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol, 14-3-3 protein sigma, ERalpha peptide, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a new potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZG
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BU of 8bzg by Molmil
FC-31 stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin 31, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZT
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BU of 8bzt by Molmil
FC-NAg stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BYG
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BU of 8byg by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1047648)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-12-12
Release date:2023-08-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8B5P
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BU of 8b5p by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 10
Descriptor: 14-3-3 protein sigma, 3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-09-23
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8BI7
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BU of 8bi7 by Molmil
Binary structure of 14-3-3s and PKR phosphopeptide
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, PKR phosphopeptide
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-11-01
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8B4Q
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BU of 8b4q by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 5
Descriptor: 14-3-3 protein sigma, 3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-09-20
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8DGN
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BU of 8dgn by Molmil
14-3-3 epsilon bound to phosphorylated PEAK2 (pS826) peptide
Descriptor: 14-3-3 protein epsilon, Phosphorylated PEAK2 (pS826) peptide
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8DGM
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BU of 8dgm by Molmil
14-3-3 epsilon bound to phosphorylated PEAK1 (pT1165) peptide
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Inactive tyrosine-protein kinase PEAK1
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8DGP
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BU of 8dgp by Molmil
14-3-3 epsilon bound to phosphorylated PEAK3 (pS69) peptide
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Phosphorylated PEAK3 (pS69) peptide, ...
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8C2G
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BU of 8c2g by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound CV1040
Descriptor: 14-3-3 protein sigma, 2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ...
Authors:Verhoef, C.J, Cossar, P.
Deposit date:2022-12-22
Release date:2023-06-14
Last modified:2023-07-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tracking the mechanism of covalent molecular glue stabilization using native mass spectrometry.
Chem Sci, 14, 2023
8BYO
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BU of 8byo by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2023-01-18
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C2D
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BU of 8c2d by Molmil
14-3-3 in complex with Pyrin pS208
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, Pyrin pS208 peptide
Authors:Lau, R, Ottmann, C, Hann, M.
Deposit date:2022-12-22
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure and ligandability of the 14-3-3/pyrin interface.
Biochem.Biophys.Res.Commun., 651, 2023
8BZW
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BU of 8bzw by Molmil
Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210)
Descriptor: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-12-15
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BJG
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BU of 8bjg by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 8
Descriptor: 14-3-3 protein sigma, 3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-11-04
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8BFC
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BU of 8bfc by Molmil
Binary structure of 14-3-3s and RND3 phosphopeptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-10-24
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8BJN
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BU of 8bjn by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 6
Descriptor: 14-3-3 protein sigma, 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-11-04
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8BM5
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BU of 8bm5 by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 7
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-11-10
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8DP5
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BU of 8dp5 by Molmil
Structure of the PEAK3/14-3-3 complex
Descriptor: 14-3-3 protein beta/alpha, 14-3-3 protein epsilon, Protein PEAK3, ...
Authors:Torosyan, H, Paul, M, Jura, N, Verba, K.A.
Deposit date:2022-07-14
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into regulation of the PEAK3 pseudokinase scaffold by 14-3-3.
Nat Commun, 14, 2023
7NFW
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BU of 7nfw by Molmil
Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide
Descriptor: 14-3-3 protein sigma, Estrogen receptor
Authors:Roversi, P, Falcicchio, M, Doveston, R.
Deposit date:2021-02-08
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification.
Chem Sci, 12, 2021
7NIG
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BU of 7nig by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1008
Descriptor: 14-3-3 protein sigma, 2-bromanyl-4-imidazol-1-yl-benzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
Deposit date:2021-02-12
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7NJA
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BU of 7nja by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1006
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
Deposit date:2021-02-16
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021

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数据于2024-07-10公开中

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