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Title: A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS      
dateReleased:
03-28-2012
creators:
Zhu, J.
Choi, W.S.
McCoy, J.G.
Negri, A.
Naini, S.
Li, J.
Shen, M.
Huang, W.
Bougie, D.
Rasmussen, M.
Aster, R.
Thomas, C.J.
Filizola, M.
Springer, T.A.
Coller, B.S.
description:
Integrin alpha-IIb, Integrin beta-3, Monoclonal antibody 10E5 heavy chain, Monoclonal antibody 10E5 light chain
privacy:
not applicable
aggregation:
instance of dataset
ID:
PDB:3T3P
refinement:
curated
keywords:
CELL ADHESION
integrin
cell adhesion
blood clotting
fibrinogen
platelet
dateCreated:
07-25-2011
availability:
available
types:
structure
name:
Homo sapiens
ID:
ncbitax:9606
name:
Homo sapiens
ID:
ncbitax:9606
name:
Mus musculus
ID:
ncbitax:10090
name:
Mus musculus
ID:
ncbitax:10090
name:
Cricetulus griseus
ID:
ncbitax:10029
name:
Cricetulus griseus
ID:
ncbitax:10029
authors:
Zhu, J.
Choi, W.S.
McCoy, J.G.
Negri, A.
Naini, S.
Li, J.
Shen, M.
Huang, W.
Bougie, D.
Rasmussen, M.
Aster, R.
Thomas, C.J.
Filizola, M.
Springer, T.A.
Coller, B.S.
alternateID:
doi:10.1126/scitranslmed.3003576
year:
2012
ID: pmid:22422993
title:
Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS
formula:
C6 H13 N O2
name:
LEUCINE
roles:
chemical component
formula:
C4 H8 N2 O3
name:
ASPARAGINE
roles:
chemical component
formula:
C4 H7 N O4
name:
ASPARTIC ACID
roles:
chemical component
formula:
C5 H9 N O2
name:
PROLINE
roles:
chemical component
formula:
C5 H11 N O2
name:
VALINE
roles:
chemical component
formula:
C5 H10 N2 O3
name:
GLUTAMINE
roles:
chemical component
formula:
C4 H9 N O3
name:
THREONINE
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 O2
name:
ALANINE
roles:
chemical component
formula:
C2 H5 N O2
name:
GLYCINE
roles:
chemical component
formula:
C3 H7 N O3
name:
SERINE
roles:
chemical component
formula:
C6 H10 N3 O2 1
name:
HISTIDINE
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:
C6 H13 N O2
name:
ISOLEUCINE
roles:
chemical component
formula:
C5 H9 N O4
name:
GLUTAMIC ACID
roles:
chemical component
formula:
C3 H7 N O2 S
name:
CYSTEINE
roles:
chemical component
formula:
C11 H12 N2 O2
name:
TRYPTOPHAN
roles:
chemical component
formula:
C5 H11 N O2 S
name:
METHIONINE
roles:
chemical component
formula:
O4 S -2
name:
SULFATE ION
roles:
chemical component
formula:
C3 H8 O3
name:
GLYCEROL
roles:
chemical component
formula:
CA 2
name:
CALCIUM ION
roles:
chemical component
formula:
CL -1
name:
CHLORIDE ION
roles:
chemical component
formula:
MG 2
name:
MAGNESIUM ION
roles:
chemical component
formula:
C8 H15 N O6
name:
N-ACETYL-D-GLUCOSAMINE
roles:
chemical component
formula:
C6 H12 O6
name:
BETA-D-MANNOSE
roles:
chemical component
formula:
C6 H12 O6
name:
ALPHA-D-MANNOSE
roles:
chemical component
formula:
H2 O
name:
WATER
roles:
chemical component
name:
ITGA2B, GP2B, ITGAB
name:
ITGB3, GP3A
name:
X-RAY DIFFRACTION
ID:
pdb:3T3P
ID:
rcsb:RCSB066997
accessURL: https://files.rcsb.org/download/3T3P.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:
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accessURL: https://files.rcsb.org/download/3T3P.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/3T3P.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=3T3P
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/3T3P-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/3T3P.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=3T3P&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