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8A62
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BU of 8a62 by Molmil
Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3
Descriptor: (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-06-16
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8A68
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BU of 8a68 by Molmil
Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, RAF proto-oncogene serine/threonine-protein kinase, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-06-16
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8A6F
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BU of 8a6f by Molmil
Small molecule stabilizer (compound 8) for C-RAF and 14-3-3
Descriptor: 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-06-17
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8AH2
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BU of 8ah2 by Molmil
Crystal structure of human 14-3-3 zeta fused to the NPM1 peptide including phosphoserine-48
Descriptor: 14-3-3 protein zeta/delta,Nucleophosmin
Authors:Boyko, K.M, Kapitonova, A.A, Tugaeva, K.V, Varfolomeeva, L.A, Sluchanko, N.N.
Deposit date:2022-07-20
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the recognition by 14-3-3 proteins of a conditional binding site within the oligomerization domain of human nucleophosmin.
Biochem.Biophys.Res.Commun., 627, 2022
8B2K
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BU of 8b2k by Molmil
Ternary structure of 14-3-3s, RND3 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:2022-09-14
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
8B2I
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BU of 8b2i by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 4
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-09-14
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
8ADM
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BU of 8adm by Molmil
Ternary complex of 14-3-3 sigma, Usp8pS718 phosphopeptide and small molecule stabilizer
Descriptor: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Ubiquitin carboxyl-terminal hydrolase 8
Authors:Centorrino, F, Ottmann, C.
Deposit date:2022-07-08
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8AFN
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BU of 8afn by Molmil
Small molecule stabilizer (compound 1) for ERalpha and 14-3-3
Descriptor: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Estrogen receptor, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-07-18
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8AV0
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BU of 8av0 by Molmil
small molecule stabilizer (compound 1) for C-RAF pS259 and 14-3-3
Descriptor: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-08-26
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8ANB
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BU of 8anb by Molmil
14-3-3 sigma sirtuin-1 phospho-peptide complex
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Weyand, M, Steegborn, C, Debbert, L.
Deposit date:2022-08-05
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:14-3-3 sigma sirtuin-1 phospho-peptide complex
To Be Published
8ANC
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BU of 8anc by Molmil
14-3-3 sigma sirtuin-3 phospho-peptide complex
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Weyand, M, Steegborn, C, Debbert, L.
Deposit date:2022-08-05
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:14-3-3 sigma sirtuin-3 phospho-peptide complex
To Be Published
8AV8
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BU of 8av8 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075300)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ALR
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BU of 8alr by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080272)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-01
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AI0
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BU of 8ai0 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3sigma (1080268)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-07-25
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AQE
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BU of 8aqe by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080295)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-12
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AS1
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BU of 8as1 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1076398)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-17
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AR4
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BU of 8ar4 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080300)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-15
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AXE
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BU of 8axe by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1074210)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide, Estrogen receptor, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-08-31
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ARX
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BU of 8arx by Molmil
Small molecular stabilizer for ERalpha and 14-3-3sigma (1074378)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-17
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AZE
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BU of 8aze by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1075306)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, ERalpha peptide, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-09-06
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ALV
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BU of 8alv by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1076403)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-01
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AT9
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BU of 8at9 by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1080269)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-22
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AWG
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BU of 8awg by Molmil
small molecule stabilizer for ERalpha and 14-3-3 (1074202)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-08-29
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ALW
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BU of 8alw by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075310)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-01
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ATP
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BU of 8atp by Molmil
Small molecule stabilizer (1075481) for ERalpha and 14-3-3
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Vandenboorn, E.M.F, Visser, E.J, Ottmann, C.
Deposit date:2022-08-23
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023

221051

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