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PDB: 88 件

5X54
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Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide
分子名称: ACE-GLU-TRP-TRP-TRP, ACETATE ION, Kelch-like ECH-associated protein 1
著者Sogabe, S, Kadotani, A, Lane, W, Snell, G.
登録日2017-02-14
公開日2017-03-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Kelch-like ECH-associated protein 1-inhibitory tetrapeptide and its structural characterization
Biochem. Biophys. Res. Commun., 486, 2017
5YBF
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BU of 5ybf by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and HBT1
分子名称: 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, ACETATE ION, GLUTAMIC ACID, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2017-09-04
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production.
J. Pharmacol. Exp. Ther., 364, 2018
5YBG
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Crystal structure of the GluA2o LBD in complex with glutamate and LY451395
分子名称: ACETATE ION, GLUTAMIC ACID, GLYCEROL, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2017-09-04
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production.
J. Pharmacol. Exp. Ther., 364, 2018
5ZG3
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BU of 5zg3 by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and TAK-137
分子名称: 9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2018-03-07
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG1
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Crystal structure of the GluA2o LBD in complex with glutamate and Compound-2
分子名称: 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, GLUTAMIC ACID, GLYCEROL, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2018-03-07
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG2
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Crystal structure of the GluA2o LBD in complex with ZK200775 and Compound-2
分子名称: 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ACETATE ION, GLYCEROL, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2018-03-07
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG0
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Crystal structure of the GluA2o LBD in complex with glutamate and Compound-1
分子名称: 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2018-03-07
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZUN
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BU of 5zun by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 3l
分子名称: (4R)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Sogabe, S, Zama, Y, Lane, W, Snell, G.
登録日2018-05-08
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Design, Synthesis, and Evaluation of Piperazinyl Pyrrolidin-2-ones as a Novel Series of Reversible Monoacylglycerol Lipase Inhibitors
J. Med. Chem., 61, 2018
5H5R
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BU of 5h5r by Molmil
Crystal structure of human GPX4 in complex with GXpep-2
分子名称: GLYCEROL, GXpep-2, Phospholipid hydroperoxide glutathione peroxidase, ...
著者Sogabe, S, Kadotani, A, Lane, W, Snell, G.
登録日2016-11-09
公開日2016-12-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
5H5S
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Crystal structure of human GPX4 in complex with GXpep-3
分子名称: GLYCEROL, GXpep-3, Phospholipid hydroperoxide glutathione peroxidase, ...
著者Sogabe, S, Kadotani, A, Lane, W, Snell, G.
登録日2016-11-09
公開日2016-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
5H5Q
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Crystal structure of human GPX4 in complex with GXpep-1
分子名称: GLYCEROL, GXpep-1, Phospholipid hydroperoxide glutathione peroxidase, ...
著者Sogabe, S, Kadotani, A, Lane, W, Snell, G.
登録日2016-11-09
公開日2016-12-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
5H7H
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Crystal structure of the BCL6 BTB domain in complex with F1324(10-13)
分子名称: 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, F1324 peptide residues 10-13
著者Sogabe, S, Ida, K, Lane, W, Snell, G.
登録日2016-11-18
公開日2016-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship.
Biochem. Biophys. Res. Commun., 482, 2017
7K41
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BU of 7k41 by Molmil
Bacterial O-GlcNAcase (OGA) with compound
分子名称: 1,2-ETHANEDIOL, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ACETATE ION, ...
著者Lane, W, Tjhen, R, Snell, G, Sang, B.
登録日2020-09-14
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization.
J.Med.Chem., 64, 2021
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