Brand  (β version)

PDB ID: 3PTG

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Ligands
Code Name Style Show Link
932 N-[4-methyl-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide PoSSuM
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Structure summary

Code : 3PTG   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor
Release Data : 2011-03-02
Compound :
mol_id molecule chains synonym
1 Mitogen-activated protein kinase 10 A MAP kinase 10, MAPK 10, MAP kinase p49 3F12, Stress-activated protein kinase JNK3, c-Jun N-terminal kinase 3
ec: 2.7.11.24
fragment: UNP residues 40-401
mol_id molecule chains synonym
2 C-Jun-amino-terminal kinase-interacting protein 1 J JIP-1, JNK-interacting protein 1, Islet-brain 1, IB-1, JNK MAP kinase scaffold protein 1, Mitogen-activated protein kinase 8-interacting protein 1
fragment: UNP residues 157-167
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: MAPK10, JNK3, JNK3A, PRKM10
mol_id organism_scientific organism_common
2 Homo sapiens  (taxid:9606) Human
synthetic: yes
Authors : Bowers, S., Truong, A.P., Neitz, J., Neitzel, M., Probst, G.D., Hom, R.K., Konradi, A.W., Sham, H.L., Toth, G., Pan, H., Yao, N., Artis, D.R., Brigham, E.F., Quinn, K.P., Sauer, J., Powell, K., Ruslim, L., Bard, F., Yednock, T.A., Griswold-Prenner, I.
Keywords : JNK Inhibitor, Thiophene, neurodegeneration, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.43 Å )
Citation :

Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor.

Bowers, S.,Truong, A.P.,Neitz, R.J.  et al.
(2011)  Bioorg.Med.Chem.Lett.  21 : 1838 - 1843

PubMed: 21316234
DOI: 10.1016/j.bmcl.2011.01.046

Reaction

Chain : A
UniProt : P53779 (MK10_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.24 -
-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.24 -
-
Chain : J
UniProt : Q9UQF2 (JIP1_HUMAN)
Reaction : -