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Title: crystal structure of MDM2 with chromenotriazolopyrimidine 1      
description:
E3 ubiquitin-protein ligase Mdm2 (E.C.6.3.2.-)
privacy:
not applicable
aggregation:
instance of dataset
ID:
PDB:3JZK
refinement:
curated
keywords:
LIGASE
MDM2
p53
inhibitor
Host-virus interaction
Ligase
Metal-binding
Nucleus
Phosphoprotein
Proto-oncogene
Ubl conjugation pathway
Zinc-finger
creators:
Allen, J.G.
Bourbeau, M.P.
Wohlhieter, G.E.
Bartberger, M.D.
Michelsen, K.
Hungate, R.
Gadwood, R.C.
Gaston, R.D.
Evans, B.
Mann, L.W.
Matison, M.E.
Schneider, S.
Huang, X.
Yu, D.
Andrews, P.S.
Reichelt, A.
Long, A.M.
Yakowec, P.
Yang, E.Y.
Lee, T.A.
Oliner, J.D.
availability:
available
types:
structure
name:
Homo sapiens
ID:
ncbitax:9606
name:
Escherichia coli
ID:
ncbitax:562
authors:
Allen, J.G.
Bourbeau, M.P.
Wohlhieter, G.E.
Bartberger, M.D.
Michelsen, K.
Hungate, R.
Gadwood, R.C.
Gaston, R.D.
Evans, B.
Mann, L.W.
Matison, M.E.
Schneider, S.
Huang, X.
Yu, D.
Andrews, P.S.
Reichelt, A.
Long, A.M.
Yakowec, P.
Yang, E.Y.
Lee, T.A.
Oliner, J.D.
alternateID:
doi:10.1021/jm900681h
year:
2009
ID: pmid:19856920
title:
Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction.
formula:
C5 H10 N2 O3
name:
GLUTAMINE
roles:
chemical component
formula:
C6 H13 N O2
name:
ISOLEUCINE
roles:
chemical component
formula:
C5 H9 N O2
name:
PROLINE
roles:
chemical component
formula:
C3 H7 N O2
name:
ALANINE
roles:
chemical component
formula:
C3 H7 N O3
name:
SERINE
roles:
chemical component
formula:
C5 H9 N O4
name:
GLUTAMIC 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:
C5 H11 N O2
name:
VALINE
roles:
chemical component
formula:
C6 H15 N4 O2 1
name:
ARGININE
roles:
chemical component
formula:
C6 H15 N2 O2 1
name:
LYSINE
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:
C9 H11 N O3
name:
TYROSINE
roles:
chemical component
formula:
C5 H11 N O2 S
name:
METHIONINE
roles:
chemical component
formula:
C9 H11 N O2
name:
PHENYLALANINE
roles:
chemical component
formula:
C6 H10 N3 O2 1
name:
HISTIDINE
roles:
chemical component
formula:
C3 H7 N O2 S
name:
CYSTEINE
roles:
chemical component
formula:
C4 H8 N2 O3
name:
ASPARAGINE
roles:
chemical component
formula:
C24 H16 BR2 N4 O
name:
(6R,7S)-6,7-BIS(4-BROMOPHENYL)-7,11-DIHYDRO-6H-CHROMENO[4,3-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
roles:
chemical component
formula:
H2 O
name:
WATER
roles:
chemical component
name:
MDM2
name:
X-RAY DIFFRACTION
ID:
pdb:3JZK
ID:
rcsb:RCSB055357
accessURL: https://files.rcsb.org/download/3JZK.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.
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authentication:
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accessURL: https://files.rcsb.org/download/3JZK.pdb.gz
storedIn:
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qualifier:
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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:
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accessURL: https://files.rcsb.org/download/3JZK.cif.gz
storedIn:
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qualifier:
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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:
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authentication:
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authorization:
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accessURL: http://www.rcsb.org/pdb/download/downloadFile.do?fileFormat=FASTA&compression=NO&structureId=3JZK
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:
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accessType:
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authentication:
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authorization:
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accessURL: https://files.rcsb.org/download/3JZK-sf.cif.gz
storedIn:
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qualifier:
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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:
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accessType:
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authentication:
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authorization:
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accessURL: https://files.rcsb.org/download/3JZK.pdb1.gz
storedIn:
Protein Data Bank
qualifier:
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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.
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accessURL: http://www.rcsb.org/pdb/explore/jmol.do?structureId=3JZK&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:
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accessType:
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authentication:
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authorization:
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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