Sandbox GGC11

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==5CEQ DLK in complex with inhibitor 50F (2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile)==
==5CEQ DLK in complex with inhibitor 50F (2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile)==
<StructureSection load='5ceq' size='340' side='right'caption='[[5ceq]], [[Resolution|resolution]] 1.91&Aring;' scene=''>
<StructureSection load='5ceq' size='340' side='right'caption='[[5ceq]], [[Resolution|resolution]] 1.91&Aring;' scene=''>
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5CEQ is a This is a default text for your page. Click above on '''edit this page''' to modify. Be careful with the &lt; and &gt; signs.
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5CEQ is a MAP3K12 protein from homo sapiens. It plays a role in the MAPK Cascade pathway mostly by interacting with the JNKs, SAPKs, and ERKs which are part of part of the MAP kinases. Since some of the MAP kinases are involved with the central nervous system signaling, it has been shown that DLK also plays a role in protection of neurons when inhibited by 50F.
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You may include any references to papers as in: the use of JSmol in Proteopedia <ref>DOI 10.1002/ijch.201300024</ref> or to the article describing Jmol <ref>PMID:21638687</ref> to the rescue.
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== Function ==
== Function ==
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Neuron degenerative diseases such as Parkinson’s, and Alzheimer.
Neuron degenerative diseases such as Parkinson’s, and Alzheimer.
== Relevance ==
== Relevance ==
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This protein will help us understand more about the physiology of degenerative diseases, which will lead to making more medicine that could possibly slow the deterioration process, or even cure the diseases.
== Structural highlights ==
== Structural highlights ==
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This is a sample scene created with SAT to <scene name="/12/3456/Sample/1">color</scene> by Group, and another to make <scene name="/12/3456/Sample/2">a transparent representation</scene> of the protein. You can make your own scenes on SAT starting from scratch or loading and editing one of these sample scenes.
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<scene name='78/781195/00ligand/1'>50F</scene>
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<scene name='78/781195/01dfg_active_site/1'>active site</scene>
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<scene name='78/781195/03asp161/1'>ASP161</scene>
</StructureSection>
</StructureSection>
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Gene: MAP3K12
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Related proteins: 5CEO, 5CEN, Q12852
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Ligand: 50F
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== References ==
== References ==
1. Patel S, Harris SF, Gibbons P, Deshmukh G, Gustafson A, Kellar T, Lin H, Liu X, Liu Y, Liu Y, Ma C, Scearce-Levie K, Ghosh AS, Shin YG, Solanoy H, Wang J, Wang B, Yin J, Siu M, Lewcock JW. Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). J Med Chem. 2015 Oct 2. PMID:26431428 doi:http://dx.doi.org/10.1021/acs.jmedchem.5b01072
1. Patel S, Harris SF, Gibbons P, Deshmukh G, Gustafson A, Kellar T, Lin H, Liu X, Liu Y, Liu Y, Ma C, Scearce-Levie K, Ghosh AS, Shin YG, Solanoy H, Wang J, Wang B, Yin J, Siu M, Lewcock JW. Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). J Med Chem. 2015 Oct 2. PMID:26431428 doi:http://dx.doi.org/10.1021/acs.jmedchem.5b01072

Current revision

5CEQ DLK in complex with inhibitor 50F (2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile)

PDB ID 5ceq

Drag the structure with the mouse to rotate

Gene: MAP3K12

Related proteins: 5CEO, 5CEN, Q12852

Ligand: 50F

References

1. Patel S, Harris SF, Gibbons P, Deshmukh G, Gustafson A, Kellar T, Lin H, Liu X, Liu Y, Liu Y, Ma C, Scearce-Levie K, Ghosh AS, Shin YG, Solanoy H, Wang J, Wang B, Yin J, Siu M, Lewcock JW. Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). J Med Chem. 2015 Oct 2. PMID:26431428 doi:http://dx.doi.org/10.1021/acs.jmedchem.5b01072

2. Cargnello, M., & Roux, P. P. (2011). Activation and function of the MAPKs and their substrates, the MAPK-activated protein kinases. Microbiology and molecular biology reviews : MMBR, 75(1), 50–83. https://doi.org/10.1128/MMBR.00031-10

3. Siu M, Sengupta Ghosh A, Lewcock JW. Dual Leucine Zipper Kinase Inhibitors for the Treatment of Neurodegeneration. J Med Chem. 2018 Sep 27;61(18):8078-8087. doi: 10.1021/acs.jmedchem.8b00370. Epub 2018 Jun 4. PMID: 29863360.

4. Patel S, Cohen F, Dean BJ, De La Torre K, Deshmukh G, Estrada AA, Ghosh AS, Gibbons P, Gustafson A, Huestis MP, Le Pichon CE, Lin H, Liu W, Liu X, Liu Y, Ly CQ, Lyssikatos JP, Ma C, Scearce-Levie K, Shin YG, Solanoy H, Stark KL, Wang J, Wang B, Zhao X, Lewcock JW, Siu M. Discovery of dual leucine zipper kinase (DLK, MAP3K12) inhibitors with activity in neurodegeneration models. J Med Chem. 2015 Jan 8;58(1):401-18. doi: 10.1021/jm5013984. Epub 2014 Oct 23. PMID: 25341110./>

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