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3POZ
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BU of 3poz by Molmil
EGFR Kinase domain complexed with tak-285
分子名称: Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, SULFATE ION
著者Aertgeerts, K, Skene, R, Sogabe, S.
登録日2010-11-23
公開日2011-03-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein.
J.Biol.Chem., 286, 2011
3PP0
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BU of 3pp0 by Molmil
Crystal Structure of the Kinase domain of Human HER2 (erbB2).
分子名称: 2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol, Receptor tyrosine-protein kinase erbB-2
著者Skene, R.J, Aertgeerts, K, Sogabe, S.
登録日2010-11-23
公開日2011-03-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein.
J.Biol.Chem., 286, 2011
5UOR
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BU of 5uor by Molmil
Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
分子名称: 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5, SULFATE ION
著者Dougan, D.R.
登録日2017-02-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
5UP3
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BU of 5up3 by Molmil
Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
分子名称: 2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5
著者Dougan, D.R.
登録日2017-02-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
5UOX
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BU of 5uox by Molmil
Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
分子名称: 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5
著者Dougan, D.R.
登録日2017-02-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
7F3O
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BU of 7f3o by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and TAK-653
分子名称: 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide, ACETATE ION, GLUTAMIC ACID, ...
著者Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
登録日2021-06-16
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Strictly regulated agonist-dependent activation of AMPA-R is the key characteristic of TAK-653 for robust synaptic responses and cognitive improvement.
Sci Rep, 11, 2021
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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BU of 5zg1 by Molmil
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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BU of 5zg2 by Molmil
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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BU of 5zg0 by Molmil
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
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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BU of 5ybg by Molmil
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

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