biomedical and healthCAre Data Discovery Index Ecosystem
biomedical and healthCAre Data Discovery Index Ecosystem
| Title: | Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties
|
| dateReleased: |
08-17-2011
|
| creators: |
Probst, G.D.
Bowers, S.
Sealy, J.M.
Truong, A.P.
Hom, R.K.
Galemmo, R.A.
Konradi, A.W.
Sham, H.L.
Quincy, D.A.
Pan, H.
Yao, N.
Lin, M.
Toth, G.
Artis, D.R.
Zmolek, W.
Wong, K.
Qin, A.
Lorentzen, C.
Nakamura, D.F.
Quinn, K.P.
Sauer, J.M.
Powell, K.
Ruslim, L.
Wright, S.
Chereau, D.
Ren, Z.
Anderson, J.P.
Bard, F.
Yednock, T.A.
Griswold-Prenner, I.
|
| description: |
Mitogen-activated protein kinase 10 (E.C.2.7.11.24)
|
| privacy: |
not applicable
|
| aggregation: |
instance of dataset
|
| ID: |
PDB:3OY1
|
| refinement: |
curated
|
| keywords: |
transherase/transferase inhibitor
Kinase inhibitor
CNS
Selectivity
TRANSFERASE
transherase-transferase inhibitor complex
|
| dateCreated: |
09-22-2010
|
| availability: |
available
|
| types: |
structure
|
| name: |
Homo sapiens
|
| ID: |
ncbitax:9606
|
| name: |
Escherichia coli
|
| ID: |
ncbitax:562
|
| authors: |
Probst, G.D.
Bowers, S.
Sealy, J.M.
Truong, A.P.
Hom, R.K.
Galemmo, R.A.
Konradi, A.W.
Sham, H.L.
Quincy, D.A.
Pan, H.
Yao, N.
Lin, M.
Toth, G.
Artis, D.R.
Zmolek, W.
Wong, K.
Qin, A.
Lorentzen, C.
Nakamura, D.F.
Quinn, K.P.
Sauer, J.M.
Powell, K.
Ruslim, L.
Wright, S.
Chereau, D.
Ren, Z.
Anderson, J.P.
Bard, F.
Yednock, T.A.
Griswold-Prenner, I.
|
| alternateID: |
doi:10.1016/j.bmcl.2010.11.010
|
| year: |
2011
|
| ID: | pmid:21112785 |
| title: |
Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration.
|
| formula: |
C4 H8 N2 O3
|
| name: |
ASPARAGINE
|
| roles: |
chemical component
|
| formula: |
C5 H10 N2 O3
|
| name: |
GLUTAMINE
|
| roles: |
chemical component
|
| formula: |
C9 H11 N O2
|
| name: |
PHENYLALANINE
|
| roles: |
chemical component
|
| formula: |
C9 H11 N O3
|
| name: |
TYROSINE
|
| roles: |
chemical component
|
| formula: |
C3 H7 N O3
|
| name: |
SERINE
|
| roles: |
chemical component
|
| formula: |
C5 H11 N O2
|
| name: |
VALINE
|
| roles: |
chemical component
|
| formula: |
C5 H9 N O4
|
| name: |
GLUTAMIC ACID
|
| roles: |
chemical component
|
| formula: |
C2 H5 N O2
|
| name: |
GLYCINE
|
| roles: |
chemical component
|
| formula: |
C4 H7 N O4
|
| name: |
ASPARTIC ACID
|
| roles: |
chemical component
|
| formula: |
C4 H9 N O3
|
| name: |
THREONINE
|
| roles: |
chemical component
|
| formula: |
C6 H13 N O2
|
| name: |
LEUCINE
|
| roles: |
chemical component
|
| formula: |
C6 H15 N2 O2 1
|
| name: |
LYSINE
|
| roles: |
chemical component
|
| formula: |
C6 H15 N4 O2 1
|
| name: |
ARGININE
|
| roles: |
chemical component
|
| formula: |
C5 H9 N O2
|
| name: |
PROLINE
|
| roles: |
chemical component
|
| formula: |
C6 H13 N O2
|
| name: |
ISOLEUCINE
|
| roles: |
chemical component
|
| formula: |
C3 H7 N O2 S
|
| name: |
CYSTEINE
|
| roles: |
chemical component
|
| formula: |
C3 H7 N O2
|
| name: |
ALANINE
|
| roles: |
chemical component
|
| formula: |
C6 H10 N3 O2 1
|
| name: |
HISTIDINE
|
| roles: |
chemical component
|
| formula: |
C5 H11 N O2 S
|
| name: |
METHIONINE
|
| roles: |
chemical component
|
| formula: |
C11 H12 N2 O2
|
| name: |
TRYPTOPHAN
|
| roles: |
chemical component
|
| formula: |
C28 H31 N5 O2
|
| name: |
5-[2-(CYCLOHEXYLAMINO)PYRIDIN-4-YL]-4-NAPHTHALEN-2-YL-2-(TETRAHYDRO-2H-PYRAN-4-YL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
|
| roles: |
chemical component
|
| formula: |
H2 O
|
| name: |
WATER
|
| roles: |
chemical component
|
| name: |
MAPK10, JNK3, JNK3A, PRKM10
|
| name: |
X-RAY DIFFRACTION
|
| ID: |
pdb:3OY1
|
| ID: |
rcsb:RCSB061714
|
| accessURL: | https://files.rcsb.org/download/3OY1.xml.gz |
| storedIn: |
Protein Data Bank
|
| qualifier: |
gzip compressed
|
| license: |
Data files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data. By using the materials available in the PDB archive, the user agrees to abide by the conditions described in the PDB Advisory Notice.
|
| format: |
PDBML/XML
|
| accessType: |
download
|
| authentication: |
none
|
| authorization: |
none
|
| accessURL: | https://files.rcsb.org/download/3OY1.pdb.gz |
| storedIn: |
Protein Data Bank
|
| qualifier: |
gzip compressed
|
| license: |
Data files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data. By using the materials available in the PDB archive, the user agrees to abide by the conditions described in the PDB Advisory Notice.
|
| format: |
PDB Format
|
| accessType: |
download
|
| authentication: |
none
|
| authorization: |
none
|
| accessURL: | https://files.rcsb.org/download/3OY1.cif.gz |
| storedIn: |
Protein Data Bank
|
| qualifier: |
gzip compressed
|
| license: |
Data files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data. By using the materials available in the PDB archive, the user agrees to abide by the conditions described in the PDB Advisory Notice.
|
| format: |
PDBx/mmCIF
|
| accessType: |
download
|
| authentication: |
none
|
| authorization: |
none
|
| accessURL: | http://www.rcsb.org/pdb/download/downloadFile.do?fileFormat=FASTA&compression=NO&structureId=3OY1 |
| storedIn: |
Protein Data Bank
|
| license: |
Data files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data. By using the materials available in the PDB archive, the user agrees to abide by the conditions described in the PDB Advisory Notice.
|
| format: |
FASTA
|
| accessType: |
download
|
| authentication: |
none
|
| authorization: |
none
|
| accessURL: | https://files.rcsb.org/download/3OY1-sf.cif.gz |
| storedIn: |
Protein Data Bank
|
| qualifier: |
gzip compressed
|
| license: |
Data files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data. By using the materials available in the PDB archive, the user agrees to abide by the conditions described in the PDB Advisory Notice.
|
| format: |
CIF
|
| accessType: |
download
|
| authentication: |
none
|
| authorization: |
none
|
| accessURL: | https://files.rcsb.org/download/3OY1.pdb1.gz |
| storedIn: |
Protein Data Bank
|
| qualifier: |
gzip compressed
|
| license: |
Data files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data. By using the materials available in the PDB archive, the user agrees to abide by the conditions described in the PDB Advisory Notice.
|
| format: |
PDB Format (A)
|
| accessType: |
download
|
| authentication: |
none
|
| authorization: |
none
|
| accessURL: | http://www.rcsb.org/pdb/explore/jmol.do?structureId=3OY1&bionumber=1 |
| storedIn: |
Protein Data Bank
|
| license: |
Data files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data. By using the materials available in the PDB archive, the user agrees to abide by the conditions described in the PDB Advisory Notice.
|
| format: |
JSmol
|
| accessType: |
view
|
| authentication: |
none
|
| authorization: |
none
|
| abbreviation: |
wwPDB
|
| homePage: | http://www.wwpdb.org |
| ID: |
SCR:006555
|
| name: |
Worldwide Protein Data Bank
|
| abbreviation: |
PDB
|
| homePage: | http://www.rcsb.org/pdb/ |
| ID: |
SCR:012820
|
| name: |
Protein Data Bank
|
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