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Title: Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) -4-(3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)aminopiperidin-3- yloxymethyl)-1-thiane-1,1-dione      
description:
ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2 (E.C.3.6.1.3)
privacy:
not applicable
aggregation:
instance of dataset
ID:
PDB:5A82
refinement:
curated
keywords:
INHIBITOR
ATAD2
BROMODOMAIN
EPIGENETICS
ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2
creators:
Bamborough, P.
Chung, C.
Furze, R.C.
Grandi, P.
Michon, A.
Sheppard, R.J.
Barnett, H.
Diallo, H.
Dixon, D.P.
Douault, C.
Jones, E.J.
Karamshi, B.
Mitchell, D.J.
Prinjha, R.K.
Rau, C.
Watson, R.J.
Werner, T.
Demont, E.H.
availability:
available
types:
structure
name:
HOMO SAPIENS
ID:
ncbitax:9606
name:
ESCHERICHIA COLI
ID:
ncbitax:562
authors:
Bamborough, P.
Chung, C.
Furze, R.C.
Grandi, P.
Michon, A.
Sheppard, R.J.
Barnett, H.
Diallo, H.
Dixon, D.P.
Douault, C.
Jones, E.J.
Karamshi, B.
Mitchell, D.J.
Prinjha, R.K.
Rau, C.
Watson, R.J.
Werner, T.
Demont, E.H.
alternateID:
doi:10.1021/ACS.JMEDCHEM.5B00773
year:
2015
ID: pmid:26230603
title:
Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
formula:
C3 H7 N O3
name:
SERINE
roles:
chemical component
formula:
C5 H11 N O2 S
name:
METHIONINE
roles:
chemical component
formula:
C5 H10 N2 O3
name:
GLUTAMINE
roles:
chemical component
formula:
C5 H9 N O4
name:
GLUTAMIC ACID
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:
C9 H11 N O2
name:
PHENYLALANINE
roles:
chemical component
formula:
C6 H15 N4 O2 1
name:
ARGININE
roles:
chemical component
formula:
C6 H13 N O2
name:
LEUCINE
roles:
chemical component
formula:
C6 H13 N O2
name:
ISOLEUCINE
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:
C3 H7 N O2
name:
ALANINE
roles:
chemical component
formula:
C6 H15 N2 O2 1
name:
LYSINE
roles:
chemical component
formula:
C5 H9 N O2
name:
PROLINE
roles:
chemical component
formula:
C9 H11 N O3
name:
TYROSINE
roles:
chemical component
formula:
C3 H7 N O2 S
name:
CYSTEINE
roles:
chemical component
formula:
C2 H5 N O2
name:
GLYCINE
roles:
chemical component
formula:
C2 H6 O2
name:
1,2-ETHANEDIOL
roles:
chemical component
formula:
C20 H28 N4 O4 S
name:
8-[[(3R,4R)-3-[[1,1-BIS(OXIDANYLIDENE)THIAN-4-YL]METHOXY]PIPERIDIN-4-YL]AMINO]-3-METHYL-1H-1,7-NAPHTHYRIDIN-2-ONE
roles:
chemical component
formula:
O4 S -2
name:
SULFATE ION
roles:
chemical component
formula:
H2 O
name:
WATER
roles:
chemical component
name:
X-RAY DIFFRACTION
ID:
pdb:5A82
ID:
pdbe:EBI-64353
accessURL: https://files.rcsb.org/download/5A82.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/5A82.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:
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authentication:
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authorization:
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accessURL: https://files.rcsb.org/download/5A82.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=5A82
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/5A82-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/5A82.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:
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authentication:
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authorization:
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accessURL: http://www.rcsb.org/pdb/explore/jmol.do?structureId=5A82&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