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3S3I
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BU of 3s3i by Molmil
p38 kinase crystal structure in complex with small molecule inhibitor
分子名称: 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
著者Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M.
登録日2011-05-18
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3RIN
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BU of 3rin by Molmil
p38 kinase crystal structure in complex with small molecule inhibitor
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide
著者Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M.
登録日2011-04-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode.
Bioorg.Med.Chem.Lett., 21, 2011
3MW1
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BU of 3mw1 by Molmil
p38 kinase Crystal structure in complex with small molecule inhibitor
分子名称: 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14
著者Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M.
登録日2010-05-05
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase
J.Med.Chem., 54, 2011
3HRB
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BU of 3hrb by Molmil
p38 kinase Crystal structure in complex with small molecule inhibitor
分子名称: Mitogen-activated protein kinase 14, [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone
著者Segarra, V, Lumeras, W, Vidal, B, Leonard, P, Fisher, M, Lamers, M.
登録日2009-06-09
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase
J.Med.Chem., 52, 2009
5QUH
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BU of 5quh by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 2 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUD
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BU of 5qud by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 5 minutes at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUE
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BU of 5que by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUG
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BU of 5qug by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 1 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUF
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BU of 5quf by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUB
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BU of 5qub by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 30 seconds at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUO
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BU of 5quo by Molmil
HumRadA1 soaked with 0.2 mM indazole in 10% DMSO
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.342 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUC
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BU of 5quc by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 60 seconds at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUI
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BU of 5qui by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 5 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUQ
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BU of 5quq by Molmil
HumRadA1 soaked with 1 mM indazole in 10% DMSO
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.249 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUP
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BU of 5qup by Molmil
HumRadA1 soaked with 0.5 mM indazole in 10% DMSO
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUJ
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BU of 5quj by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight 10 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUK
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BU of 5quk by Molmil
Structure of unliganded HumRadA1.2
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUN
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BU of 5qun by Molmil
Structure of unliganded HumRadA1.6
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUM
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BU of 5qum by Molmil
Structure of unliganded HumRadA1.4
分子名称: RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUL
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BU of 5qul by Molmil
Structure of unliganded HumRadA1.3
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.278 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUT
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BU of 5qut by Molmil
HumRadA1 soaked with 10 mM indazole in 10% DMSO
分子名称: 1H-indazole, PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.248 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUS
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BU of 5qus by Molmil
HumRadA1 soaked with 5 mM indazole in 10% DMSO
分子名称: 1H-indazole, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.247 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUU
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BU of 5quu by Molmil
HumRadA1 as soaking control with 10% DMSO
分子名称: DIMETHYL SULFOXIDE, PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.248 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUR
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BU of 5qur by Molmil
HumRadA1 soaked with 2 mM indazole in 10% DMSO
分子名称: 1H-indazole, PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.247 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published

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