3MW1
 
 | | p38 kinase Crystal structure in complex with small molecule inhibitor | | Descriptor: | 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14 | | Authors: | Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M. | | Deposit date: | 2010-05-05 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase
J.Med.Chem., 54, 2011
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3RIN
 | | p38 kinase crystal structure in complex with small molecule inhibitor | | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide | | Authors: | Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M. | | Deposit date: | 2011-04-14 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode.
Bioorg.Med.Chem.Lett., 21, 2011
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3S3I
 | | p38 kinase crystal structure in complex with small molecule inhibitor | | Descriptor: | 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | | Authors: | Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M. | | Deposit date: | 2011-05-18 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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3HRB
 | | p38 kinase Crystal structure in complex with small molecule inhibitor | | Descriptor: | Mitogen-activated protein kinase 14, [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone | | Authors: | Segarra, V, Lumeras, W, Vidal, B, Leonard, P, Fisher, M, Lamers, M. | | Deposit date: | 2009-06-09 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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
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5QUH
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5QUE
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5QUD
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5QUF
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5QUG
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5QUB
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5QUC
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5QUO
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5QUI
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5QUQ
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5QUP
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5QUJ
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5QUK
 | | Structure of unliganded HumRadA1.2 | | Descriptor: | PHOSPHATE ION, RadA | | Authors: | Marsh, M, Hyvonen, M. | | Deposit date: | 2020-01-27 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Optimisation of crystal forms for structure-guided drug discovery
To be published
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5QUN
 | | Structure of unliganded HumRadA1.6 | | Descriptor: | PHOSPHATE ION, RadA | | Authors: | Marsh, M, Hyvonen, M. | | Deposit date: | 2020-01-27 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Optimisation of crystal forms for structure-guided drug discovery
To be published
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5QUM
 | | Structure of unliganded HumRadA1.4 | | Descriptor: | RadA | | Authors: | Marsh, M, Hyvonen, M. | | Deposit date: | 2020-01-27 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Optimisation of crystal forms for structure-guided drug discovery
To be published
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5QUL
 | | Structure of unliganded HumRadA1.3 | | Descriptor: | PHOSPHATE ION, RadA | | Authors: | Marsh, M, Hyvonen, M. | | Deposit date: | 2020-01-27 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.278 Å) | | Cite: | Optimisation of crystal forms for structure-guided drug discovery
To be published
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5QUT
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5QUS
 | | HumRadA1 soaked with 5 mM indazole in 10% DMSO | | Descriptor: | 1H-indazole, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Marsh, M, Hyvonen, M. | | Deposit date: | 2020-01-27 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.247 Å) | | Cite: | Optimisation of crystal forms for structure-guided drug discovery
To be published
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5QUU
 | | HumRadA1 as soaking control with 10% DMSO | | Descriptor: | DIMETHYL SULFOXIDE, PHOSPHATE ION, RadA | | Authors: | Marsh, M, Hyvonen, M. | | Deposit date: | 2020-01-27 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.248 Å) | | Cite: | Optimisation of crystal forms for structure-guided drug discovery
To be published
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5QUR
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