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Title: X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP      
description:
Dual specificity mitogen-activated protein kinase kinase 1 (E.C.2.7.12.2)
privacy:
not applicable
aggregation:
instance of dataset
ID:
PDB:3EQB
refinement:
curated
keywords:
TRANSFERASE
PROTEIN KINASE STRUCTURE
MITOGEN ACTIVATED PROTEIN KINASE KINASE
SIGNAL TRANSDUCTION
LIGAND CO-COMPLEX
TERNARY CO-COMPLEX WITH KINASE
LIGAND AND MGATP
NON-COMPETITIVE PROTEIN KINASE INHIBITOR
ATP-binding
Disease mutation
Kinase
Nucleotide-binding
Phosphoprotein
Serine/threonine-protein kinase
Tyrosine-protein kinase
creators:
Warmus, J.S.
Flamme, C.
Zhang, L.Y.
Barrett, S.
Bridges, A.
Chen, H.
Gowan, R.
Kaufman, M.
Sebolt-Leopold, J.
Leopold, W.
Merriman, R.
Ohren, J.
Pavlovsky, A.
Przybranowski, S.
Tecle, H.
Valik, H.
Whitehead, C.
Zhang, E.
availability:
available
types:
structure
name:
Homo sapiens
ID:
ncbitax:9606
name:
Escherichia coli
ID:
ncbitax:562
authors:
Warmus, J.S.
Flamme, C.
Zhang, L.Y.
Barrett, S.
Bridges, A.
Chen, H.
Gowan, R.
Kaufman, M.
Sebolt-Leopold, J.
Leopold, W.
Merriman, R.
Ohren, J.
Pavlovsky, A.
Przybranowski, S.
Tecle, H.
Valik, H.
Whitehead, C.
Zhang, E.
alternateID:
doi:10.1016/j.bmcl.2008.10.015
year:
2008
ID: pmid:18951019
title:
2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase).
formula:
C5 H11 N O2 S
name:
METHIONINE
roles:
chemical component
formula:
C5 H9 N O4
name:
GLUTAMIC ACID
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:
C4 H7 N O4
name:
ASPARTIC ACID
roles:
chemical component
formula:
C9 H11 N O2
name:
PHENYLALANINE
roles:
chemical component
formula:
C6 H13 N O2
name:
ISOLEUCINE
roles:
chemical component
formula:
C3 H7 N O3
name:
SERINE
roles:
chemical component
formula:
C2 H5 N O2
name:
GLYCINE
roles:
chemical component
formula:
C3 H7 N O2
name:
ALANINE
roles:
chemical component
formula:
C4 H8 N2 O3
name:
ASPARAGINE
roles:
chemical component
formula:
C5 H11 N O2
name:
VALINE
roles:
chemical component
formula:
C6 H10 N3 O2 1
name:
HISTIDINE
roles:
chemical component
formula:
C5 H9 N O2
name:
PROLINE
roles:
chemical component
formula:
C6 H15 N4 O2 1
name:
ARGININE
roles:
chemical component
formula:
C5 H10 N2 O3
name:
GLUTAMINE
roles:
chemical component
formula:
C3 H7 N O2 S
name:
CYSTEINE
roles:
chemical component
formula:
C9 H11 N O3
name:
TYROSINE
roles:
chemical component
formula:
C4 H9 N O3
name:
THREONINE
roles:
chemical component
formula:
C11 H12 N2 O2
name:
TRYPTOPHAN
roles:
chemical component
formula:
C10 H16 N5 O13 P3
name:
ADENOSINE-5'-TRIPHOSPHATE
roles:
chemical component
formula:
MG 2
name:
MAGNESIUM ION
roles:
chemical component
formula:
C16 H13 F3 I N5 O
name:
N-(5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-1,3,4-OXADIAZOL-2-YL)ETHANE-1,2-DIAMINE
roles:
chemical component
formula:
H2 O
name:
WATER
roles:
chemical component
name:
MAP2K1, MEK1, PRKMK1
name:
X-RAY DIFFRACTION
ID:
pdb:3EQB
ID:
rcsb:RCSB049642
accessURL: https://files.rcsb.org/download/3EQB.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/3EQB.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/3EQB.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=3EQB
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/3EQB-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/3EQB.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=3EQB&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