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5LYQ
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BU of 5lyq by Molmil
Crystal structure of the Retinoic Acid Receptor alpha in complex with a synthetic spiroketal agonist and a fragment of the TIF2 co-activator.
分子名称: (2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha
著者Andrei, S.A, Ottmann, C.
登録日2016-09-28
公開日2017-04-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Designed Spiroketal Protein Modulation.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MJ5
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BU of 5mj5 by Molmil
Crystal structure of the Retinoid X Receptor alpha in complex with synthetichonokiol derivative 3 and a fragment of the TIF2 co-activator.
分子名称: (~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha
著者Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C.
登録日2016-11-30
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
5MKJ
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BU of 5mkj by Molmil
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 9 and a fragment of the TIF2 co-activator.
分子名称: (~{E})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha
著者Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C.
登録日2016-12-05
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
5MMW
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BU of 5mmw by Molmil
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 6 and a fragment of the TIF2 co-activator.
分子名称: (~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Retinoic acid receptor RXR-alpha
著者Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C.
登録日2016-12-12
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
8A9G
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BU of 8a9g by Molmil
Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1
分子名称: 14-3-3 protein zeta/delta, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid, ...
著者Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C.
登録日2022-06-28
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7BA7
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BU of 7ba7 by Molmil
Cys-42-tethered stabilizer 9 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7BA5
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Cys-42-tethered stabilizer 7 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7BA9
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Cys-42-tethered stabilizer 11 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7BAA
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BU of 7baa by Molmil
Cys-42-tethered stabilizer 12 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7B9T
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BU of 7b9t by Molmil
Cys-45-tethered stabilizer 5 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7BA8
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BU of 7ba8 by Molmil
Cys-42-tethered stabilizer 10 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7BA6
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BU of 7ba6 by Molmil
Cys-42-tethered stabilizer 8 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7BAB
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BU of 7bab by Molmil
Cys-42-tethered stabilizer 13 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7B9M
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BU of 7b9m by Molmil
Cys-45-tethered stabilizer 3 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7B9R
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BU of 7b9r by Molmil
Cys-45-tethered stabilizer 4 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7BA3
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BU of 7ba3 by Molmil
Cys-42-tethered stabilizer 6 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7Q1U
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BU of 7q1u by Molmil
Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to non-hydrolysable palmitoyl-CoA (Composite Map)
分子名称: CHOLESTEROL, MAGNESIUM ION, Megabody 177, ...
著者Coupland, C, Carrique, L, Siebold, C.
登録日2021-10-21
公開日2022-06-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structure, mechanism, and inhibition of Hedgehog acyltransferase.
Mol.Cell, 81, 2021
7Q6Z
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BU of 7q6z by Molmil
Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to IMP-1575
分子名称: 2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone, CHOLESTEROL, Megabody 177, ...
著者Coupland, C, Carrique, L, Siebold, C.
登録日2021-11-09
公開日2022-01-26
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Structure, mechanism, and inhibition of Hedgehog acyltransferase.
Mol.Cell, 81, 2021
7OBH
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BU of 7obh by Molmil
Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide and stabilizer Fusicoccin-A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-22
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBX
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BU of 7obx by Molmil
Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-23
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBG
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BU of 7obg by Molmil
Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-22
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBY
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BU of 7oby by Molmil
Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide and stabilizer Fusicoccin-A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-24
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBS
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BU of 7obs by Molmil
Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-23
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBD
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BU of 7obd by Molmil
Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide and stabilizer Fusicoccin-A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FARNESYL, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-21
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OB8
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BU of 7ob8 by Molmil
Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide and stabilizer Fusicoccin-A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-21
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023

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