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8BYY
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BU of 8byy by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074395)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-12-14
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C04
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BU of 8c04 by Molmil
Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354)
Descriptor: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-chloranyl-7-propan-2-yloxy-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
8C4F
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BU of 8c4f by Molmil
Small molecule amidine soak in 14-3-3/ERa (AZ037)
Descriptor: 14-3-3 protein sigma, 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2023-01-03
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BYZ
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BU of 8byz by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (AZ210)
Descriptor: 14-3-3 protein sigma, 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-12-14
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BZF
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BU of 8bzf by Molmil
FC-J acetonide stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin J-acetonide, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.53 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
8BZC
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BU of 8bzc by Molmil
co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ244)
Descriptor: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-12-14
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Linked-fragment stabilizers of 14-3-3 protein-protein interactions
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
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
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
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
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
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
8BZ9
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BU of 8bz9 by Molmil
single soak stabilizer for ERa - 14-3-3 interaction (AZ354)
Descriptor: 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-12-14
Release date:2023-08-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 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
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
8AQC
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BU of 8aqc by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080294)
Descriptor: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
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 (1.5 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
8ARW
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BU of 8arw by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1076402)
Descriptor: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
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
8ARY
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BU of 8ary by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080273)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]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 (1.45 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
8ATR
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BU of 8atr by Molmil
Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075297)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ...
Authors:Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-24
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 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
8ATS
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BU of 8ats by Molmil
Small molecular stabilizer for C-RAF (pS259) 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, CHLORIDE ION, ...
Authors:Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-24
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
8B39
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BU of 8b39 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080299)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-09-16
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
8AUY
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BU of 8auy by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1080298)
Descriptor: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-26
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
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
8AV7
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BU of 8av7 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1074202 - non covalent)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-26
Release date:2023-09-20
Last modified:2023-11-15
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
8AR5
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BU of 8ar5 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080265)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone, 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 (1.4 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

222036

PDB entries from 2024-07-03

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