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Title: Crystal structure of human folate receptor alpha in complex with novel antifolate AGF183      
description:
Frizzled-4
privacy:
not applicable
aggregation:
instance of dataset
ID:
PDB:5IZQ
refinement:
curated
keywords:
SIGNALING PROTEIN
Folate receptor alpha
antifolate
tumor targeting
2-Amino-4-oxo-6-substituted pyrrolo[2
3-d]pyrimidine
creators:
Golani, L.K.
Wallace-Povirk, A.
Deis, S.M.
Wong, J.
Ke, J.
Gu, X.
Raghavan, S.
Wilson, M.R.
Li, X.
Polin, L.
de Waal, P.W.
White, K.
Kushner, J.
O'Connor, C.
Hou, Z.
Xu, H.E.
Melcher, K.
Dann, C.E.
Matherly, L.H.
Gangjee, A.
availability:
available
types:
structure
name:
Homo sapiens
ID:
ncbitax:9606
name:
Homo sapiens
ID:
ncbitax:9606
authors:
Golani, L.K.
Wallace-Povirk, A.
Deis, S.M.
Wong, J.
Ke, J.
Gu, X.
Raghavan, S.
Wilson, M.R.
Li, X.
Polin, L.
de Waal, P.W.
White, K.
Kushner, J.
O'Connor, C.
Hou, Z.
Xu, H.E.
Melcher, K.
Dann, C.E.
Matherly, L.H.
Gangjee, A.
alternateID:
doi:10.1021/acs.jmedchem.6b00594
year:
2016
ID: pmid:27458733
title:
Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
formula:
C20 H22 N6 O6
name:
N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid
roles:
chemical component
formula:
C3 H7 N O2
name:
ALANINE
roles:
chemical component
formula:
C6 H15 N4 O2 1
name:
ARGININE
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:
C3 H7 N O2 S
name:
CYSTEINE
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:
C2 H5 N O2
name:
GLYCINE
roles:
chemical component
formula:
C6 H10 N3 O2 1
name:
HISTIDINE
roles:
chemical component
formula:
C6 H13 N O2
name:
ISOLEUCINE
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:
C5 H11 N O2 S
name:
METHIONINE
roles:
chemical component
formula:
C9 H11 N O2
name:
PHENYLALANINE
roles:
chemical component
formula:
C5 H9 N O2
name:
PROLINE
roles:
chemical component
formula:
C3 H7 N O3
name:
SERINE
roles:
chemical component
formula:
C4 H9 N O3
name:
THREONINE
roles:
chemical component
formula:
C11 H12 N2 O2
name:
TRYPTOPHAN
roles:
chemical component
formula:
C9 H11 N O3
name:
TYROSINE
roles:
chemical component
formula:
C5 H11 N O2
name:
VALINE
roles:
chemical component
name:
FOLR1, FOLR
name:
X-RAY DIFFRACTION
ID:
pdb:5IZQ
ID:
wwpdb:D_1000219595
accessURL: https://files.rcsb.org/download/5IZQ.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/5IZQ.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/5IZQ.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=5IZQ
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/5IZQ-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/5IZQ.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=5IZQ&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
  • R01 CA152316/CA/NCI NIH HHS/United States

  • P41 GM103403/GM/NIGMS NIH HHS/United States

  • R01 CA053535/CA/NCI NIH HHS/United States

  • R01 CA166711/CA/NCI NIH HHS/United States

  • R01 CA125153/CA/NCI NIH HHS/United States

  • T32 GM007757/GM/NIGMS NIH HHS/United States

  • R01 GM102545/GM/NIGMS NIH HHS/United States

  • R01 DK071662/DK/NIDDK NIH HHS/United States

  • R01 GM104212/GM/NIGMS NIH HHS/United States

  • T32 CA009531/CA/NCI NIH HHS/United States

  • P30 CA022453/CA/NCI NIH HHS/United States

  • R01 GM094472/GM/NIGMS NIH HHS/United States

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