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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
6YOS
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BU of 6yos by Molmil
Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 pS617 peptide
分子名称: 14-3-3 protein zeta/delta, Glucocorticoid receptor,Glucocorticoid receptor
著者Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C.
登録日2020-04-15
公開日2021-03-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators.
J.Biol.Chem., 296, 2021
6YO8
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BU of 6yo8 by Molmil
Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 peptide
分子名称: 14-3-3 protein zeta/delta, Glucocorticoid receptor
著者Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C.
登録日2020-04-14
公開日2021-03-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators.
J.Biol.Chem., 296, 2021
6YMO
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BU of 6ymo by Molmil
Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pS617 peptide
分子名称: 14-3-3 protein zeta/delta, 2-HYDROXYBENZOIC ACID, Glucocorticoid receptor, ...
著者Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C.
登録日2020-04-09
公開日2021-03-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators.
J.Biol.Chem., 296, 2021
5NCZ
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BU of 5ncz by Molmil
mPI3Kd IN COMPLEX WITH inh1
分子名称: 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Petersen, J.
登録日2017-03-06
公開日2017-06-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
5NCY
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BU of 5ncy by Molmil
mPI3Kd IN COMPLEX WITH inh1
分子名称: 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ...
著者Petersen, J.
登録日2017-03-06
公開日2017-06-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
7OIL
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BU of 7oil by Molmil
mPI3Kd in complex with compound 58
分子名称: 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
著者Petersen, J.
登録日2021-05-11
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OI4
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BU of 7oi4 by Molmil
mPI3Kd in complex with compound 12
分子名称: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Petersen, J.
登録日2021-05-11
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OIS
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BU of 7ois by Molmil
mPI3Kd in complex with compound 7
分子名称: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
著者Petersen, J.
登録日2021-05-12
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OIJ
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BU of 7oij by Molmil
mPI3Kd in complex with an inhibitor
分子名称: 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ...
著者Petersen, J.
登録日2021-05-11
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
6FTN
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BU of 6ftn by Molmil
mPI3Kd IN COMPLEX WITH AZ2
分子名称: Phosphor inositol 3 kinase, ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
著者Petersen, J.
登録日2018-02-22
公開日2018-06-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-gamma Inhibitors.
J. Med. Chem., 61, 2018
6GY0
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BU of 6gy0 by Molmil
mPI3Kd IN COMPLEX WITH AZ3
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
著者Petersen, J.
登録日2018-06-27
公開日2019-02-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A class of highly selective inhibitors bind to an active state of PI3K gamma.
Nat.Chem.Biol., 15, 2019
7PWT
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BU of 7pwt by Molmil
Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptor alpha phosphopeptide, stabilised by pyrrolidone derivative 228
分子名称: (2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one, 14-3-3 protein sigma, C-terminus of Estrogen receptor alpha, ...
著者Andrei, S.A, Bosica, F, O'Mahony, G, Ottmann, C.
登録日2021-10-07
公開日2022-12-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.312 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
7PWZ
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BU of 7pwz by Molmil
Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptoralpha phosphopeptide, stabilised by Pyrrolidone1 derivative 228
分子名称: 14-3-3 protein sigma, 2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid, C-terminus of Estrogen receptor alpha, ...
著者Andrei, S.A, Bosica, F, O'Mahony, G, Ottmann, C.
登録日2021-10-07
公開日2022-12-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 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
6TM7
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BU of 6tm7 by Molmil
Human 14-3-3 sigma isoform in complex with PLP
分子名称: 14-3-3 protein sigma, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Tassone, G, Pozzi, C, Mangani, S.
登録日2019-12-03
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
6TLF
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BU of 6tlf by Molmil
human 14-3-3 sigma isoform in complex with IMP
分子名称: 14-3-3 protein sigma, INOSINIC ACID, SULFATE ION
著者Tassone, G, Pozzi, C, Mangani, S.
登録日2019-12-02
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
6TLG
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BU of 6tlg by Molmil
Ligand-free state of human 14-3-3 sigma isoform
分子名称: 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Tassone, G, Pozzi, C, Mangani, S.
登録日2019-12-02
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020

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件を2024-08-07に公開中

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