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7O6O
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BU of 7o6o by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-096
分子名称: (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate, 14-3-3 protein sigma, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-11
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O5A
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BU of 7o5a by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-158
分子名称: 14-3-3 protein sigma, 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-08
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O6G
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BU of 7o6g by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-176
分子名称: 14-3-3 protein sigma, 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-11
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
4CP9
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BU of 4cp9 by Molmil
Crystal structure OF lecA lectin complexed with a divalent galactoside at 1.65 angstrom
分子名称: (4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Topin, J, Varrot, A, Imberty, A, Wissinger, N.
登録日2014-02-04
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Leca Ligand Identified from a Galactoside-Conjugate Array Inhibits Host Cell Invasion by Pseudomonas Aeruginosa.
Angew.Chem.Int.Ed.Engl., 53, 2014
6CVH
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BU of 6cvh by Molmil
Identification and biological evaluation of thiazole-based inverse agonists of RORgt
分子名称: Nuclear receptor ROR-gamma, trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
著者Spurlino, J, Milligan, C.
登録日2018-03-28
公開日2018-04-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Identification and biological evaluation of thiazole-based inverse agonists of ROR gamma t.
Bioorg. Med. Chem. Lett., 28, 2018
6RS2
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BU of 6rs2 by Molmil
Structure of the Bateman module of human CNNM4.
分子名称: Metal transporter CNNM4
著者Corral-Rodriguez, M.A, Stuiver, M, Gomez-Garcia, I, Oyenarte, I, Gimenez, P, Ereno-Orbea, J, Diercks, T, Muller, D, Martinez-Cruz, L.A.
登録日2019-05-21
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.694 Å)
主引用文献Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
6YOX
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BU of 6yox by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-027
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YOY
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BU of 6yoy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-025
分子名称: 14-3-3 protein sigma, 5-methyl-2-nitrophenol, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YP2
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BU of 6yp2 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-011
分子名称: 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YP3
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BU of 6yp3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-028
分子名称: 1-(4-methylphenyl)-1,2,4-triazole, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YP8
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BU of 6yp8 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-033
分子名称: 14-3-3 protein sigma, 3-imidazol-1-ylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YPY
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BU of 6ypy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-123
分子名称: 14-3-3 protein sigma, 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-16
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YQ2
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BU of 6yq2 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-129
分子名称: 14-3-3 protein sigma, 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-16
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YOW
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BU of 6yow by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521
分子名称: 14-3-3 protein sigma, 4-(methylsulfonyl)benzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YPL
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BU of 6ypl by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-037
分子名称: (2-methylsulfonylphenyl)methanol, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-16
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
1FAJ
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BU of 1faj by Molmil
INORGANIC PYROPHOSPHATASE
分子名称: SOLUBLE INORGANIC PYROPHOSPHATASE
著者Kankare, J.A, Salminen, T, Goldman, A.
登録日1996-01-10
公開日1996-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of Escherichia coli inorganic pyrophosphatase at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
6G52
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BU of 6g52 by Molmil
CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4
分子名称: Metal transporter CNNM4
著者Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A.
登録日2018-03-28
公開日2019-04-10
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.691 Å)
主引用文献Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
7NM3
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BU of 7nm3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-135
分子名称: 14-3-3 protein sigma, 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-23
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NK5
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BU of 7nk5 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-124
分子名称: 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine, 14-3-3 protein sigma, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-17
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NM1
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BU of 7nm1 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-126
分子名称: 14-3-3 protein sigma, 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-23
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NLE
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BU of 7nle by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-118
分子名称: 14-3-3 protein sigma, 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-22
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NLA
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BU of 7nla by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-119
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-22
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NM9
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BU of 7nm9 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-110
分子名称: 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, DI(HYDROXYETHYL)ETHER, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-23
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NJ9
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-133
分子名称: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde, DI(HYDROXYETHYL)ETHER, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-16
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NK3
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BU of 7nk3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-128
分子名称: 14-3-3 protein sigma, 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-17
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021

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