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8BYO
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BU of 8byo by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361)
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2023-01-18
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BZ0
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BU of 8bz0 by Molmil
single soak stabilizer for ERa - 14-3-3 interaction (AZ275)
分子名称: 14-3-3 protein sigma, 4-ethoxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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)
分子名称: 14-3-3 protein sigma, 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2023-01-03
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BYY
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BU of 8byy by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074395)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-14
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BZW
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BU of 8bzw by Molmil
Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210)
分子名称: 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, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-15
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C4G
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BU of 8c4g by Molmil
Small molecule amidine soak in 14-3-3/ERa (AZ132)
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2023-01-03
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BZB
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BU of 8bzb by Molmil
co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275)
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-ethoxy-1-benzothiophene-2-carboximidamide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C0K
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BU of 8c0k by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075302)
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-17
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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)
分子名称: 14-3-3 protein sigma, 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BZ9
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BU of 8bz9 by Molmil
single soak stabilizer for ERa - 14-3-3 interaction (AZ354)
分子名称: 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
6MVL
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BU of 6mvl by Molmil
Crystal structure of VISTA bound to a pH-selective antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
著者Critton, D.A.
登録日2018-10-26
公開日2019-10-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献VISTA is an acidic pH-selective ligand for PSGL-1.
Nature, 574, 2019
6N4X
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BU of 6n4x by Molmil
Metabotropic Glutamate Receptor 5 Apo Form Ligand Binding Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 5
著者Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K.
登録日2018-11-20
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6N50
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BU of 6n50 by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid
分子名称: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
著者Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K.
登録日2018-11-20
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.751 Å)
主引用文献Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6N4Y
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BU of 6n4y by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain with Nb43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
著者Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K.
登録日2018-11-20
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.262 Å)
主引用文献Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6N51
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BU of 6n51 by Molmil
Metabotropic Glutamate Receptor 5 bound to L-quisqualate and Nb43
分子名称: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
著者Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K.
登録日2018-11-20
公開日2019-01-23
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6N52
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BU of 6n52 by Molmil
Metabotropic Glutamate Receptor 5 Apo Form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5
著者Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K.
登録日2018-11-20
公開日2019-01-23
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
2ABJ
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BU of 2abj by Molmil
Crystal structure of human branched chain amino acid transaminase in a complex with an inhibitor, C16H10N2O4F3SCl, and pyridoxal 5' phosphate.
分子名称: Branched-chain-amino-acid aminotransferase, cytosolic, N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE, ...
著者Ohren, J.F, Moreland, D.W, Rubin, J.R, Hu, H.L, McConnell, P.C, Mistry, A, Mueller, W.T, Scholten, J.D, Hasemann, C.H.
登録日2005-07-15
公開日2006-06-27
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases.
Bioorg.Med.Chem.Lett., 16, 2006
7VGE
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BU of 7vge by Molmil
Structure of the PDZ deleted variant of HtrA2 protease (S306A)
分子名称: Serine protease HTRA2, mitochondrial
著者Parui, A.L, Mishra, V, Bhaumik, P, Bose, K.
登録日2021-09-15
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Inter-subunit crosstalk via PDZ synergistically governs allosteric activation of proapoptotic HtrA2.
Structure, 30, 2022
4GNK
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BU of 4gnk by Molmil
Crystal structure of Galphaq in complex with full-length human PLCbeta3
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Lyon, A.M, Tesmer, J.J.G.
登録日2012-08-17
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Full-length G alpha (q)-phospholipase C-beta 3 structure reveals interfaces of the C-terminal coiled-coil domain.
Nat.Struct.Mol.Biol., 20, 2013
5EVM
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BU of 5evm by Molmil
Crystal Structure of Nipah Virus Fusion Glycoprotein in the Prefusion State
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, MALONATE ION, ...
著者Xu, K, Nikolov, D.B.
登録日2015-11-20
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.367 Å)
主引用文献Crystal Structure of the Pre-fusion Nipah Virus Fusion Glycoprotein Reveals a Novel Hexamer-of-Trimers Assembly.
Plos Pathog., 11, 2015
4O6D
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BU of 4o6d by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NS1, ...
著者Akey, D.L, Smith, J.L.
登録日2013-12-20
公開日2014-02-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5936 Å)
主引用文献Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
4O6B
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BU of 4o6b by Molmil
Dengue Type2 Virus Non-structural protein 1 (NS1) Form 1 crystal
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Non-structural protein 1
著者Akey, D.L, Smith, J.L.
登録日2013-12-20
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.0005 Å)
主引用文献Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
4O6C
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BU of 4o6c by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 2 crystal
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, NS1, SULFATE ION
著者Akey, D.L, Smith, J.L.
登録日2013-12-20
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7508 Å)
主引用文献Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
8AV8
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BU of 8av8 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075300)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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)
分子名称: 14-3-3 protein sigma, 2-chloranyl-N-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-01
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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

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