3MW1
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![BU of 3mw1 by Molmil](/molmil-images/mine/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
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![BU of 3rin by Molmil](/molmil-images/mine/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
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![BU of 3s3i by Molmil](/molmil-images/mine/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
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![BU of 3hrb by Molmil](/molmil-images/mine/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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![BU of 5quh by Molmil](/molmil-images/mine/5quh) | |
5QUE
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![BU of 5que by Molmil](/molmil-images/mine/5que) | |
5QUD
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![BU of 5qud by Molmil](/molmil-images/mine/5qud) | |
5QUF
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![BU of 5quf by Molmil](/molmil-images/mine/5quf) | |
5QUG
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![BU of 5qug by Molmil](/molmil-images/mine/5qug) | |
5QUB
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![BU of 5qub by Molmil](/molmil-images/mine/5qub) | |
5QUC
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![BU of 5quc by Molmil](/molmil-images/mine/5quc) | |
5QUO
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![BU of 5quo by Molmil](/molmil-images/mine/5quo) | |
5QUI
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![BU of 5qui by Molmil](/molmil-images/mine/5qui) | |
5QUQ
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![BU of 5quq by Molmil](/molmil-images/mine/5quq) | |
5QUP
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![BU of 5qup by Molmil](/molmil-images/mine/5qup) | |
5QUJ
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5QUK
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![BU of 5quk by Molmil](/molmil-images/mine/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
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![BU of 5qun by Molmil](/molmil-images/mine/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
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![BU of 5qum by Molmil](/molmil-images/mine/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
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![BU of 5qul by Molmil](/molmil-images/mine/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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![BU of 5qut by Molmil](/molmil-images/mine/5qut) | |
5QUS
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![BU of 5qus by Molmil](/molmil-images/mine/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
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![BU of 5quu by Molmil](/molmil-images/mine/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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![BU of 5qur by Molmil](/molmil-images/mine/5qur) | |