Mountain View
biomedical and healthCAre Data Discovery Index Ecosystem
help Advanced Search
Title: Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor      
dateReleased:
12-08-2009
creators:
Ellis, D.A.
Blazel, J.K.
Tran, C.V.
Ruebsam, F.
Murphy, D.E.
Li, L.S.
Zhao, J.
Zhou, Y.
McGuire, H.M.
Xiang, A.X.
Webber, S.E.
Zhao, Q.
Han, Q.
Kissinger, C.R.
Lardy, M.
Gobbi, A.
Showalter, R.E.
Shah, A.M.
Tsan, M.
Patel, R.A.
LeBrun, L.A.
Kamran, R.
Bartkowski, D.M.
Nolan, T.G.
Norris, D.A.
Sergeeva, M.V.
Kirkovsky, L.
description:
Genome polyprotein (E.C.3.4.22.-, 3.4.21.98, 3.6.1.15, 3.6.1.-, 2.7.7.48)
privacy:
not applicable
aggregation:
instance of dataset
ID:
PDB:3GYN
refinement:
curated
keywords:
TRANSFERASE
PROTEIN-LIGAND COMPLEX
RNA REPLICATION
RNA-BINDING
RNA-DIRECTED RNA POLYMERASE
METAL-BINDING
NUCLEOTIDE-BINDING
NUCLEOTIDYLTRANSFERASE
TRANSCRIPTION
Apoptosis
ATP-binding
Capsid protein
Cell membrane
Disulfide bond
Endoplasmic reticulum
Envelope protein
Fusion protein
Glycoprotein
Helicase
Host-virus interaction
Hydrolase
Interferon antiviral system evasion
Lipid droplet
Lipoprotein
Membrane
Mitochondrion
Multifunctional enzyme
Nucleus
Oncogene
Palmitate
Phosphoprotein
Protease
Ribonucleoprotein
Secreted
Serine protease
SH3-binding
Thiol protease
Transcription regulation
Transmembrane
Viral nucleoprotein
Virion
dateCreated:
04-04-2009
availability:
available
types:
structure
strain:
genotype 1b BK
name:
Hepatitis C virus (isolate BK)
ID:
ncbitax:11105
strain:
BL21(DE3)STAR
name:
Escherichia coli
ID:
ncbitax:562
authors:
Ellis, D.A.
Blazel, J.K.
Tran, C.V.
Ruebsam, F.
Murphy, D.E.
Li, L.S.
Zhao, J.
Zhou, Y.
McGuire, H.M.
Xiang, A.X.
Webber, S.E.
Zhao, Q.
Han, Q.
Kissinger, C.R.
Lardy, M.
Gobbi, A.
Showalter, R.E.
Shah, A.M.
Tsan, M.
Patel, R.A.
LeBrun, L.A.
Kamran, R.
Bartkowski, D.M.
Nolan, T.G.
Norris, D.A.
Sergeeva, M.V.
Kirkovsky, L.
alternateID:
doi:10.1016/j.bmcl.2009.09.051
year:
2009
ID: pmid:19796938
title:
5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
formula:
C3 H7 N O3
name:
SERINE
roles:
chemical component
formula:
C5 H11 N O2 S
name:
METHIONINE
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:
C2 H5 N O2
name:
GLYCINE
roles:
chemical component
formula:
C3 H7 N O2
name:
ALANINE
roles:
chemical component
formula:
C6 H13 N O2
name:
LEUCINE
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 S
name:
CYSTEINE
roles:
chemical component
formula:
C5 H9 N O4
name:
GLUTAMIC ACID
roles:
chemical component
formula:
C6 H15 N2 O2 1
name:
LYSINE
roles:
chemical component
formula:
C4 H8 N2 O3
name:
ASPARAGINE
roles:
chemical component
formula:
C6 H15 N4 O2 1
name:
ARGININE
roles:
chemical component
formula:
C6 H10 N3 O2 1
name:
HISTIDINE
roles:
chemical component
formula:
C5 H11 N O2
name:
VALINE
roles:
chemical component
formula:
C5 H10 N2 O3
name:
GLUTAMINE
roles:
chemical component
formula:
C9 H11 N O2
name:
PHENYLALANINE
roles:
chemical component
formula:
C4 H7 N O4
name:
ASPARTIC ACID
roles:
chemical component
formula:
C24 H34 N4 O6 S2
name:
N-{3-[(5R)-1-CYCLOPENTYL-4-HYDROXY-5-METHYL-5-(3-METHYLBUTYL)-2-OXO-1,2,5,6-TETRAHYDROPYRIDIN-3-YL]-1,1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZIN-7-YL}METHANESULFONAMIDE
roles:
chemical component
formula:
H2 O
name:
WATER
roles:
chemical component
name:
X-RAY DIFFRACTION
ID:
pdb:3GYN
ID:
rcsb:RCSB052470
accessURL: https://files.rcsb.org/download/3GYN.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/3GYN.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/3GYN.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=3GYN
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/3GYN-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/3GYN.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=3GYN&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