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(1)
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X-ray diffraction
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Authors
(29)
Schiffer CA
(7)
Ali A
(5)
Romano KP
(4)
Soumana D
(4)
Aydin C
(3)
Cao H
(3)
Deveau LM
(3)
Huang W
(3)
Newton A
(3)
Ozen A
(3)
Petropoulos CJ
(3)
Silver C
(3)
Matthew AN
(2)
Baker D
(1)
Brunette TJ
(1)
Cunningham-Bryant D
(1)
Foight GW
(1)
Jr Greisen P
(1)
Kurt Yilmaz N
(1)
Maly DJ
(1)
Park K
(1)
Prachanronarong KL
(1)
Royer WE
(1)
Sheffler W
(1)
Soumana DI
(1)
Wang Z
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Warner KM
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Wei CT
(1)
Yilmaz NK
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Homo / hetero assembly
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homo
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protein structure
(7)
protein/protein complex
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monomer
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dimer
(1)
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1.0 - 1.5
(5)
1.5 - 2
(2)
2.0 - 2.5
(1)
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2005 - 2010
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(4)
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(4)
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To be published
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hepatitis C virus genotype 1a
(5)
Hepacivirus hominis
(3)
synthetic construct
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Molecule name
(40)
Genome polyprotein
(6)
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(5)
NS3 protease
(3)
Peptidase S29 domain-containing protein
(2)
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(1)
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NS3P
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NS4A COFACTOR-NS3 PROTEIN CHIMERA
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Non-structural protein 2
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Protease NS2
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RNA-directed RNA polymerase
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Rosetta-designed danoprevir/NS3a complex reader 2
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gp32
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gp35
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p21
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p27
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p56/58
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(1)
p8
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Protein
(8)
Interacting Molecules
(2)
Rosetta-designed danoprevir/NS3a complex reader 2
(1)
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(1)
Interacting ligands
(4)
TSV : (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8
,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate
(8)
ZN : ZINC ION
(8)
SO4 : SULFATE ION
(7)
GOL : GLYCEROL
(1)
Function and Biology
EC number / name
(4)
3.6.4.13 : RNA helicase
(8)
3.4.21.98 : Hepacivirin
(6)
3.6.1.15 : Nucleoside-triphosphate phosphatase
(6)
2.7.7.48 : RNA-directed RNA polymerase
(1)
Biological function
(4)
serine-type peptidase activity
(8)
hydrolase activity
(2)
metal ion binding
(2)
peptidase activity
(2)
Biological process
(5)
proteolysis
(8)
symbiont-mediated transformation of host cell
(8)
symbiont entry into host cell
(2)
virion attachment to host cell
(2)
carbohydrate metabolic process
(1)
Biological cell component
(5)
host cell
(2)
host cell membrane
(2)
membrane
(2)
virion component
(2)
virion membrane
(2)
Sequence and Structure classification
CATH class
(1)
Mainly Beta
(7)
CATH topology
(1)
Thrombin, subunit H
(7)
Representative Structures
Representative Structures
Entries
Macromolecules
Compounds
Protein families
Entries 1 to 8 of 8
Select all entries on this page
Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex
Wang Z, Foight GW, Baker D, Maly DJ
Nat Biotechnol
(2019)
[PMID: 31501561 ]
Source organisms: Hepacivirus hominis , synthetic construct
Assembly composition: protein/protein complex
Assembly name:
Serine protease/helicase NS3
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-150819 (Preferred)
search this ID

Crystal structure of HCV NS3/4A protease variant Y56H in complex with danoprevir
Matthew AN, Schiffer CA
To be published
Source organism: Hepacivirus hominis
Assembly composition: protein only structure
Assembly name:
Peptidase S29 domain-containing protein
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-111144 (Preferred)
search this ID

Crystal structure of HCV NS3/4A double mutant variant Y56H/D168A in complex with danoprevir
Matthew AN, Schiffer CA
To be published
Source organism: hepatitis C virus genotype 1a
Assembly composition: protein only structure
Assembly name:
NS3/4A
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-108606 (Preferred)
search this ID

Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with danoprevir
Soumana D, Yilmaz NK, Ali A, Prachanronarong KL, Schiffer CA
J Am Chem Soc
(2016)
[PMID: 27512818 ]
Source organism: Hepacivirus hominis
Assembly composition: protein only structure
Assembly name:
Peptidase S29 domain-containing protein
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-100993 (Preferred)
search this ID

Crystal structure of NS3/4A protease variant D168A in complex with danoprevir
Schiffer CA, Romano KP
PLoS Pathog
(2012)
[PMID: 22910833 ]
Source organism: hepatitis C virus genotype 1a
Assembly composition: protein only structure
Assembly name:
NS3/4A
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-108606 (Preferred)
search this ID

Crystal structure of NS3/4A protease variant R155K in complex with danoprevir
Schiffer CA, Romano KP
PLoS Pathog
(2012)
[PMID: 22910833 ]
Source organism: hepatitis C virus genotype 1a
Assembly composition: protein only structure
Assembly name:
NS3/4A
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-108606 (Preferred)
search this ID

Crystal structure of NS3/4A protease variant A156T in complex with danoprevir
Schiffer CA, Romano KP
PLoS Pathog
(2012)
[PMID: 22910833 ]
Source organism: hepatitis C virus genotype 1a
Assembly composition: protein only structure
Assembly name:
NS3/4A
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-108606 (Preferred)
search this ID

Crystal structure of HCV NS3/4A protease in complex with ITMN-191
Schiffer CA, Romano KP
Proc Natl Acad Sci U S A
(2010)
[PMID: 21084633 ]
Source organism: hepatitis C virus genotype 1a
Assembly composition: protein only structure
Assembly name:
NS3/4A
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-108606 (Preferred)
search this ID

Entries 1 to 8 of 8