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6VIF
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BU of 6vif by Molmil
Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
分子名称: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2020-01-13
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
5DLP
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BU of 5dlp by Molmil
Acetylcholinesterase Methylene Blue no PEG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ...
著者Dym, O.
登録日2015-09-07
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
5E2I
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BU of 5e2i by Molmil
Acetylcholinesterase Methylene Blue no PEG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ...
著者Dym, O.
登録日2015-10-01
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
5E4J
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BU of 5e4j by Molmil
Acetylcholinesterase Methylene Blue no PEG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ...
著者Dym, O.
登録日2015-10-06
公開日2016-03-30
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
5E4T
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BU of 5e4t by Molmil
Acetylcholinesterase Methylene Blue with PEG
分子名称: 1,2-ETHANEDIOL, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ...
著者Dym, O.
登録日2015-10-07
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
5LQQ
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BU of 5lqq by Molmil
Structure of Autotaxin (ENPP2) with LM350
分子名称: 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A.
登録日2016-08-17
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
J. Med. Chem., 60, 2017
5OUI
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BU of 5oui by Molmil
Humanized alpha-AChBP (acetylcholine binding protein) in complex with allosteric binder fragment CU2017
分子名称: (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Delbart, F, Gruss, F, Ulens, C.
登録日2017-08-23
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein.
J. Biol. Chem., 293, 2018
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