Non-structural protein 1
Zika virus
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein homooligomer Homooligomer Protein × 10 PDB declaration: decameric（10） Consistent with protein copy count | Chain B； UniProt 791–1142 Chain C； UniProt 791–1142 Chain D； UniProt 791–1142 Chain E； UniProt 791–1142 Chain F； UniProt 791–1142 Chain G； UniProt 791–1142 Chain K； UniProt 791–1142 Chain L； UniProt 791–1142 Chain M； UniProt 791–1142 Chain N； UniProt 791–1142 | Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 | ELECTRON MICROSCOPY cryo-EM buffer：pH 8 cryo-EM vitrification conditions：Cryogen ETHANE | Resolution 8.00 Å |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 8WO0 | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 29HN Crystal structure of Zika virus NS2B-NS3 protease determined via sulfur phasing Deposited 2026-03-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；293.15 K；0.1 M sodium acetate, pH 4.8, 0.2 M ammonium sulfate, 30 % w/v PEG2000
|
Resolution 1.77 Å R-free 0.265 |
| 5JPS Structure of the Zika Virus NS3 Helicase Domain Deposited 2016-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1674–2115（442 aa）
Fragment：UNP residues 1674-2115
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；8% Tacsimate 6.0, 20% PEG 3350
|
Resolution 1.78 Å R-free 0.215 |
| 5K6K Zika virus non-structural protein 1 (NS1) Deposited 2016-05-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
790–1142（353 aa）
Chain B
790–1142（353 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 SO4 SULFATE ION × 5 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；25% PEG 3350
150 mM NH3SO4
100 mM tris 8.5
|
Resolution 1.89 Å R-free 0.189 |
| 5K6K Zika virus non-structural protein 1 (NS1) Deposited 2016-05-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
790–1142（353 aa）
Chain B
790–1142（353 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 SO4 SULFATE ION × 10 GOL GLYCEROL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；25% PEG 3350
150 mM NH3SO4
100 mM tris 8.5
|
Resolution 1.89 Å R-free 0.189 |
| 5K6K Zika virus non-structural protein 1 (NS1) Deposited 2016-05-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
790–1142（353 aa）
Chain B
790–1142（353 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 SO4 SULFATE ION × 10 GOL GLYCEROL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；25% PEG 3350
150 mM NH3SO4
100 mM tris 8.5
|
Resolution 1.89 Å R-free 0.189 |
| 5RHG PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z235341991 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 3 NY7 N-(2-methoxy-5-methylphenyl)glycinamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.41 Å R-free 0.205 |
| 5RHH PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1515654336 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 UQJ 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.59 Å R-free 0.215 |
| 5RHI PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z198194396 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 K2M 4-(furan-2-carbonyl)piperazine-1-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.45 Å R-free 0.212 |
| 5RHJ PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z126932614 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 T6J 2-[(methylsulfonyl)methyl]-1H-benzimidazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.50 Å R-free 0.208 |
| 5RHK PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z87615031 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 UQM N-[4-(2-amino-2-oxoethyl)phenyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.52 Å R-free 0.206 |
| 5RHL PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z425387594 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 H04 1-(2-ethoxyphenyl)piperazine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.43 Å R-free 0.227 |
| 5RHM PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1454310449 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 UQS N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.68 Å R-free 0.215 |
| 5RHO PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1444783243 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 UQV [2-(acetylamino)phenyl]acetic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.49 Å R-free 0.211 |
| 5RHP PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z2856434938 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 7ZC 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.61 Å R-free 0.211 |
| 5RHQ PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z235449082 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 JFS [4-(1H-benzimidazol-1-yl)phenyl]methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.49 Å R-free 0.212 |
| 5RHR PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1348559502 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 UQY 1-(methylamino)cyclopentane-1-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.46 Å R-free 0.210 |
| 5RHS PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z274555794 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 NZ4 N-(3-acetylphenyl)morpholine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.53 Å R-free 0.209 |
| 5RHT PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z291279160 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 LV4 1-[2-(trifluoromethyloxy)phenyl]thiourea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.63 Å R-free 0.220 |
| 5RHU PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1703168683 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 UR7 1-(3-fluoro-4-methylphenyl)methanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.61 Å R-free 0.215 |
| 5RHV PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z62645406 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 UR4 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.71 Å R-free 0.213 |
| 5RHW PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z31222641 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 GV1 ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.62 Å R-free 0.210 |
| 5RHX PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1324080698 Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 UR1 3-fluoro-5-methylbenzene-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.73 Å R-free 0.234 |
| 5RHY PanDDA analysis group deposition of ground-state model of Zika Virus NS3 Helicase Deposited 2020-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K
|
Resolution 1.36 Å R-free 0.205 |
| 5T1V Crystal structure of Zika virus NS2B-NS3 protease in apo-form. Deposited 2016-08-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1467（54 aa）
Chain A
1499–1685（187 aa）
Chain B
1414–1467（54 aa）
Chain B
1499–1685（187 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；Protein: 12.8mg/ml, 1M Sodium chloride, 0.05M Tris-HCl pH=8.5;
Scrren: Classics II (H3), 0.24M Sodium malonate pH=7.0, 20% (w/v) PEG 3350
|
Resolution 3.10 Å R-free 0.288 |
| 5TFN CRYSTAL STRUCTURE OF THE ZIKA VIRUS NS2B-NS3 PROTEASE in super-open conformation Deposited 2016-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1499–1680（182 aa）
|
Mutation：S135A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.6 mM protein, in 100 mM NaCl, 1.0 mM TCEP, 20 mM Tris-Cl buffer (pH 8.0) was mixed with the well solution (25% PEG3330, 200 mM NaCl and 100 mM BisTris pH 6.5)
|
Resolution 3.00 Å R-free 0.259 |
| 5TFN CRYSTAL STRUCTURE OF THE ZIKA VIRUS NS2B-NS3 PROTEASE in super-open conformation Deposited 2016-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1499–1680（182 aa）
|
Mutation：S135A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.6 mM protein, in 100 mM NaCl, 1.0 mM TCEP, 20 mM Tris-Cl buffer (pH 8.0) was mixed with the well solution (25% PEG3330, 200 mM NaCl and 100 mM BisTris pH 6.5)
|
Resolution 3.00 Å R-free 0.259 |
| 5TFN CRYSTAL STRUCTURE OF THE ZIKA VIRUS NS2B-NS3 PROTEASE in super-open conformation Deposited 2016-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1499–1680（182 aa）
Chain B
1499–1680（182 aa）
|
Mutation：S135A Mutation：S135A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.6 mM protein, in 100 mM NaCl, 1.0 mM TCEP, 20 mM Tris-Cl buffer (pH 8.0) was mixed with the well solution (25% PEG3330, 200 mM NaCl and 100 mM BisTris pH 6.5)
|
Resolution 3.00 Å R-free 0.259 |
| 5TFO CRYSTAL STRUCTURE OF THE ZIKA VIRUS NS2B-NS3 PROTEASE with a deletion V76-L86 in NS2b Deposited 2016-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1416–1443（28 aa）
Chain A
1499–1680（182 aa）
|
Mutation：V76-L86 substituted with GG,V76-L86 substituted with GG,V76-L86 substituted with GG Mutation：V76-L86 substituted with GG,V76-L86 substituted with GG,V76-L86 substituted with GG | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.6 mM protein, in 100 mM NaCl, 1.0 mM TCEP, 20 mM Tris-Cl buffer (pH 8.0) was mixed with the well solution (25% PEG3330, 200 mM NaCl and 100 mM BisTris pH 6.5)
|
Resolution 2.51 Å R-free 0.250 |
| 5TFO CRYSTAL STRUCTURE OF THE ZIKA VIRUS NS2B-NS3 PROTEASE with a deletion V76-L86 in NS2b Deposited 2016-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1416–1443（28 aa）
Chain B
1499–1680（182 aa）
|
Mutation：V76-L86 substituted with GG,V76-L86 substituted with GG,V76-L86 substituted with GG Mutation：V76-L86 substituted with GG,V76-L86 substituted with GG,V76-L86 substituted with GG | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.6 mM protein, in 100 mM NaCl, 1.0 mM TCEP, 20 mM Tris-Cl buffer (pH 8.0) was mixed with the well solution (25% PEG3330, 200 mM NaCl and 100 mM BisTris pH 6.5)
|
Resolution 2.51 Å R-free 0.250 |
| 5TFR Crystal structure of Zika Virus NS5 protein Deposited 2016-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2517–3419（903 aa）
|
Not recorded | SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.1 M sodium cacodylate, pH 6.5, 0.6 M trisodium citrate
|
Resolution 3.05 Å R-free 0.237 |
| 5TFR Crystal structure of Zika Virus NS5 protein Deposited 2016-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
2517–3419（903 aa）
|
Not recorded | SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.1 M sodium cacodylate, pH 6.5, 0.6 M trisodium citrate
|
Resolution 3.05 Å R-free 0.237 |
| 5U0B Structure of full-length Zika virus NS5 Deposited 2016-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2517–3419（903 aa）
|
Not recorded | SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 5.5；277 K；1.0 M ammonium sulfate plus 1% PE
G 3350, 0.1 M Bis-Tris, pH 5.5
|
Resolution 3.00 Å R-free 0.268 |
| 5U0B Structure of full-length Zika virus NS5 Deposited 2016-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
2517–3419（903 aa）
|
Not recorded | SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 5.5；277 K；1.0 M ammonium sulfate plus 1% PE
G 3350, 0.1 M Bis-Tris, pH 5.5
|
Resolution 3.00 Å R-free 0.268 |
| 5U0C Structure of Zika virus NS5 RNA polymerase domain Deposited 2016-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2781–3419（639 aa）
Fragment：residues 2781-3419
|
Not recorded | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；277 K；0.1 M Tris pH 7.5, 0.2 M sodium citrate, and 17% PEG 3350
|
Resolution 3.00 Å R-free 0.260 |
| 5U0C Structure of Zika virus NS5 RNA polymerase domain Deposited 2016-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
2781–3419（639 aa）
Fragment：residues 2781-3419
|
Not recorded | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；277 K；0.1 M Tris pH 7.5, 0.2 M sodium citrate, and 17% PEG 3350
|
Resolution 3.00 Å R-free 0.260 |
| 5U0C Structure of Zika virus NS5 RNA polymerase domain Deposited 2016-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
2781–3419（639 aa）
Fragment：residues 2781-3419
|
Not recorded | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；277 K；0.1 M Tris pH 7.5, 0.2 M sodium citrate, and 17% PEG 3350
|
Resolution 3.00 Å R-free 0.260 |
| 5U0C Structure of Zika virus NS5 RNA polymerase domain Deposited 2016-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
2781–3419（639 aa）
Fragment：residues 2781-3419
|
Not recorded | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；277 K；0.1 M Tris pH 7.5, 0.2 M sodium citrate, and 17% PEG 3350
|
Resolution 3.00 Å R-free 0.260 |
| 5U0C Structure of Zika virus NS5 RNA polymerase domain Deposited 2016-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
2781–3419（639 aa）
Fragment：residues 2781-3419
|
Not recorded | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；277 K；0.1 M Tris pH 7.5, 0.2 M sodium citrate, and 17% PEG 3350
|
Resolution 3.00 Å R-free 0.260 |
| 5U0C Structure of Zika virus NS5 RNA polymerase domain Deposited 2016-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
2781–3419（639 aa）
Fragment：residues 2781-3419
|
Not recorded | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；277 K；0.1 M Tris pH 7.5, 0.2 M sodium citrate, and 17% PEG 3350
|
Resolution 3.00 Å R-free 0.260 |
| 5U0C Structure of Zika virus NS5 RNA polymerase domain Deposited 2016-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain G
2781–3419（639 aa）
Fragment：residues 2781-3419
|
Not recorded | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；277 K；0.1 M Tris pH 7.5, 0.2 M sodium citrate, and 17% PEG 3350
|
Resolution 3.00 Å R-free 0.260 |
| 5U0C Structure of Zika virus NS5 RNA polymerase domain Deposited 2016-11-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain H
2781–3419（639 aa）
Fragment：residues 2781-3419
|
Not recorded | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；277 K；0.1 M Tris pH 7.5, 0.2 M sodium citrate, and 17% PEG 3350
|
Resolution 3.00 Å R-free 0.260 |
| 5VI7 Crystal structure of the Zika virus NS3 helicase Deposited 2017-04-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1677–2115（439 aa）
|
Not recorded | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；288 K；PEG 400, cacodylate, lithium sulfate
|
Resolution 2.00 Å R-free 0.207 |
| 5W41 Zika MR766 NLS in complex with Importin alpha subunit-1 Deposited 2017-06-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
2887–2923（37 aa）
Fragment：unp residues 2887-2923
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1M Sodium citrate, 0.01M DTT, pH6.5
|
Resolution 2.20 Å R-free 0.203 |
| 5Y4Z Crystal structure of the Zika virus NS3 helicase complex with AMPPNP Deposited 2017-08-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1676–2115（440 aa）
Fragment：UNP RESIDUES 1676-2115
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；8% Tacsimate 6.0, 20% PEG 3350
|
Resolution 1.30 Å R-free 0.216 |
| 5ZMQ Crystal structure of Zika NS3 protease with phenylacetyl-Lys-Lys-Arg-COOH inhibitor Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.99 Å R-free 0.201 |
| 5ZMQ Crystal structure of Zika NS3 protease with phenylacetyl-Lys-Lys-Arg-COOH inhibitor Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.99 Å R-free 0.201 |
| 5ZMQ Crystal structure of Zika NS3 protease with phenylacetyl-Lys-Lys-Arg-COOH inhibitor Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.99 Å R-free 0.201 |
| 5ZMQ Crystal structure of Zika NS3 protease with phenylacetyl-Lys-Lys-Arg-COOH inhibitor Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain G
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.99 Å R-free 0.201 |
| 5ZMS Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.80 Å R-free 0.252 |
| 5ZMS Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.80 Å R-free 0.252 |
| 5ZMS Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain G
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.80 Å R-free 0.252 |
| 5ZMS Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain J
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.80 Å R-free 0.252 |
| 5ZMS Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.80 Å R-free 0.252 |
| 5ZMS Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.80 Å R-free 0.252 |
| 5ZMS Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain G
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.80 Å R-free 0.252 |
| 5ZMS Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H Deposited 2018-04-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain J
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 1.80 Å R-free 0.252 |
| 5ZOB Crystal structure of Zika NS3 protease with 4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenzylamide Deposited 2018-04-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1414–1464（51 aa）
Chain G
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 2.00 Å R-free 0.279 |
| 5ZOB Crystal structure of Zika NS3 protease with 4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenzylamide Deposited 2018-04-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain C
1414–1464（51 aa）
Chain E
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；2 M ammonium sulfate, 0.1 M sodium acetate trihydrate pH 4.6
|
Resolution 2.00 Å R-free 0.279 |
| 6ADW Crystal structure of the Zika virus NS3 helicase (apo form) Deposited 2018-08-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1679–2115（437 aa）
|
Not recorded | SO4 SULFATE ION × 3 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；289 K；PEG3350, lithium sulfate
|
Resolution 2.20 Å R-free 0.216 |
| 6ADX Crystal structure of the Zika virus NS3 helicase (ADP-Mn2+ complex, form 1) Deposited 2018-08-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1679–2115（437 aa）
|
Not recorded | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；289 K；PEG3350, lithium sulfate
|
Resolution 1.75 Å R-free 0.211 |
| 6ADY Crystal structure of the Zika virus NS3 helicase (ADP-Mn2+ complex, form 2) Deposited 2018-08-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1679–2115（437 aa）
|
Not recorded | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MN MANGANESE (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；289 K；PEG3350, lithium sulfate
|
Resolution 1.90 Å R-free 0.226 |
| 6JPW Crystal structure of Zika NS2B-NS3 protease with compound 1C Deposited 2019-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291.15 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate pH 4.6, 25% Peg 4000
|
Resolution 1.95 Å R-free 0.205 |
| 6JPW Crystal structure of Zika NS2B-NS3 protease with compound 1C Deposited 2019-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291.15 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate pH 4.6, 25% Peg 4000
|
Resolution 1.95 Å R-free 0.205 |
| 6JPW Crystal structure of Zika NS2B-NS3 protease with compound 1C Deposited 2019-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain E
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291.15 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate pH 4.6, 25% Peg 4000
|
Resolution 1.95 Å R-free 0.205 |
| 6JPW Crystal structure of Zika NS2B-NS3 protease with compound 1C Deposited 2019-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain G
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291.15 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate pH 4.6, 25% Peg 4000
|
Resolution 1.95 Å R-free 0.205 |
| 6KK2 Crystal structure of Zika NS2B-NS3 protease with compound 2 Deposited 2019-07-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | D9U 1-[(10~{S},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.2M Ammonium Sulfate, 0.1M Sodium acetate trihydrate 4.6, 25% PEG 4000
|
Resolution 2.02 Å R-free 0.256 |
| 6KK3 Crystal structure of Zika NS2B-NS3 protease with compound 4 Deposited 2019-07-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1418–1455（38 aa）
|
Not recorded | DUU 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate pH 4.6, 30% Peg 2000
|
Resolution 2.05 Å R-free 0.217 |
| 6KK4 Crystal structure of Zika NS2B-NS3 protease with compound 9 Deposited 2019-07-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | DE0 1-[(9~{R},16~{S},19~{S})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate pH 4.6, 25% Peg 4000
|
Resolution 1.74 Å R-free 0.184 |
| 6KK5 Crystal structure of Zika NS2B-NS3 protease with compound 15 Deposited 2019-07-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | DE6 1-[(5~{S},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate pH 4.6
|
Resolution 2.03 Å R-free 0.231 |
| 6KK6 Crystal structure of Zika NS2B-NS3 protease with compound 16 Deposited 2019-07-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | SO4 SULFATE ION × 1 GOL GLYCEROL × 1 DV0 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；2M Ammonium Sulfate, 5% Propanol
|
Resolution 1.74 Å R-free 0.181 |
| 6KPQ Crystal structure of Zika NS2B-NS3 protease with compound 8 Deposited 2019-08-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | DT0 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate pH 4.6, 30% Peg 2000
|
Resolution 2.62 Å R-free 0.246 |
| 6L4Z Crystal structure of Zika NS2B-NS3 protease with compound 6 Deposited 2019-10-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1418–1455（38 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% PEG2000
|
Resolution 1.90 Å R-free 0.226 |
| 6L4Z Crystal structure of Zika NS2B-NS3 protease with compound 6 Deposited 2019-10-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1419–1455（37 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% PEG2000
|
Resolution 1.90 Å R-free 0.226 |
| 6L4Z Crystal structure of Zika NS2B-NS3 protease with compound 6 Deposited 2019-10-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
1418–1455（38 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% PEG2000
|
Resolution 1.90 Å R-free 0.226 |
| 6L4Z Crystal structure of Zika NS2B-NS3 protease with compound 6 Deposited 2019-10-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain G
1418–1457（40 aa）
|
Not recorded | E5X 4-(hydroxymethyl)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% PEG2000
|
Resolution 1.90 Å R-free 0.226 |
| 6L50 Crystal structure of Zika NS2B-NS3 protease with compound 16 Deposited 2019-10-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% PEG2000
|
Resolution 1.95 Å R-free 0.235 |
| 6L50 Crystal structure of Zika NS2B-NS3 protease with compound 16 Deposited 2019-10-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% PEG2000
|
Resolution 1.95 Å R-free 0.235 |
| 6L50 Crystal structure of Zika NS2B-NS3 protease with compound 16 Deposited 2019-10-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
1414–1464（51 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% PEG2000
|
Resolution 1.95 Å R-free 0.235 |
| 6L50 Crystal structure of Zika NS2B-NS3 protease with compound 16 Deposited 2019-10-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain G
1414–1464（51 aa）
|
Not recorded | E60 2-sulfanylidene-1,3-thiazolidin-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% PEG2000
|
Resolution 1.95 Å R-free 0.235 |
| 6MH3 The crystal structure of Zika virus NS3 helicase domain Deposited 2018-09-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.7；291 K；11.5% PEG 1000
11.5% PEG 3350
11.5% MPD
0.09 M NPS
0.1 M MES-imidazole pH 6.7
|
Resolution 1.92 Å R-free 0.203 |
| 6UX2 Crystal structure of ZIKV RdRp in complex with STAT2 Deposited 2019-11-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
2789–3419（631 aa）
|
Not recorded | SO4 SULFATE ION × 4 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298.15 K；0.2 M ammonium sulfate, 11% PEG 8000 and 0.1 M Tris-HCl, pH 8.5
|
Resolution 3.01 Å R-free 0.264 |
| 7DOC Crystal structure of Zika NS2B-NS3 protease with compound 5 Deposited 2020-12-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1418–1455（38 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate pH 4.6, 30% Peg 2000
|
Resolution 1.90 Å R-free 0.229 |
| 7DOC Crystal structure of Zika NS2B-NS3 protease with compound 5 Deposited 2020-12-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
1419–1457（39 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate pH 4.6, 30% Peg 2000
|
Resolution 1.90 Å R-free 0.229 |
| 7G9K PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1262246195 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 S7A 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.55 Å R-free 0.239 |
| 7G9L PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z111782404 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZTQ (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.54 Å R-free 0.224 |
| 7G9M PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z44584886 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 AWD ~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.54 Å R-free 0.241 |
| 7G9N PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z57821475 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZU7 N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.42 Å R-free 0.229 |
| 7G9O PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z133716556 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 Z3H N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.93 Å R-free 0.262 |
| 7G9P PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1619958679 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZUC 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.74 Å R-free 0.232 |
| 7G9Q PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z751811134 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZUG N,N-dimethylpyridine-3-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 2.13 Å R-free 0.285 |
| 7G9R PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z385450668 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 LL0 2-(difluoromethoxy)benzene-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.80 Å R-free 0.251 |
| 7G9S PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z758198920 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZUW 1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 2.09 Å R-free 0.270 |
| 7G9T PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z18618496 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 ZUZ methyl N-(cyclohexanecarbonyl)glycinate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.90 Å R-free 0.258 |
| 7G9U PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z55222357 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZV2 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.69 Å R-free 0.226 |
| 7G9V PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z383202616 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 LHR N-(1H-indazol-6-yl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.74 Å R-free 0.228 |
| 7G9W PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z444860982 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 8C2 N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.85 Å R-free 0.267 |
| 7G9X PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z905065822 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZV5 (5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.81 Å R-free 0.282 |
| 7G9Y PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z2678251369 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 1 ZV8 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.83 Å R-free 0.242 |
| 7G9Z PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1216822028 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZVB 2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.62 Å R-free 0.212 |
| 7GA0 PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z2048325751 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZVE (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.97 Å R-free 0.254 |
| 7GA1 PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with POB0128 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 1 ZVH (1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 2.09 Å R-free 0.250 |
| 7GA2 PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with POB0008 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 YEK methyl 1-(methanesulfonyl)-2-methyl-D-prolinate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 2.03 Å R-free 0.276 |
| 7GA3 PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z3241250482 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 HV2 1,1-bis(oxidanylidene)thietan-3-ol × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.81 Å R-free 0.253 |
| 7GA4 PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56823075 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZVK ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.75 Å R-free 0.230 |
| 7GA5 PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z119989094 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZVN 2-(piperazin-1-yl)-1,3-benzothiazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.84 Å R-free 0.255 |
| 7GA6 PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1509711879 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 YFR 6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.75 Å R-free 0.231 |
| 7GA7 PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z85933875 Deposited 2023-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
Fragment：HELICASE DOMAIN
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 ZW5 1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.42 Å R-free 0.216 |
| 7H1H PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1201620232 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 NZ1 5-methoxy-1,3-benzothiazol-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.68 Å R-free 0.300 |
| 7H1I PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z336080990 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 VWJ N-(propan-2-yl)-1H-benzimidazol-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.41 Å R-free 0.247 |
| 7H1J PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z68299550 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 JOV 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.55 Å R-free 0.270 |
| 7H1K PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57122377 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 9 ELQ [3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.50 Å R-free 0.254 |
| 7H1L PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0087 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1AJM (3S)-3-(4-fluorophenyl)piperidine-3-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.53 Å R-free 0.271 |
| 7H1M PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0075 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1AJN 1-[1-(pyridin-2-yl)cyclopentyl]methanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.61 Å R-free 0.275 |
| 7H1N PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0120 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 6 U4C (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one × 1 W2M (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.41 Å R-free 0.254 |
| 7H1O PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1962142017 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 9OI 1,3-oxazol-4-ylmethanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.41 Å R-free 0.243 |
| 7H1P PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z425338146 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 US7 1-[4-(methylsulfonyl)phenyl]piperazine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.38 Å R-free 0.253 |
| 7H1Q PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z119990326 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1AJO 5-(thiophen-2-yl)-4H-1,2,4-triazol-3-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.41 Å R-free 0.249 |
| 7H1R PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270758780 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1AJP 4-(aminomethyl)-N,N-dimethylpyridin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.52 Å R-free 0.249 |
| 7H1S PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57477251 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1AJQ 4-(piperazin-1-yl)quinoline × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.38 Å R-free 0.245 |
| 7H1T PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z362020366 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 W3S [1,2,4]triazolo[4,3-a]pyridin-3-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.42 Å R-free 0.253 |
| 7H1U PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z212053854 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1AJR 1,2,3,4-tetrahydro-1,5-naphthyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.37 Å R-free 0.249 |
| 7H1V PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z31113727 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1AJS 1-(pyridin-2-yl)piperidin-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.36 Å R-free 0.243 |
| 7H1W PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270834034 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1AJT (2R)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.40 Å R-free 0.241 |
| 7H1X PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z53833304 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 T6R 1-ethyl-1H-benzimidazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.40 Å R-free 0.250 |
| 7H1Y PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57493554 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 NNK 4-(aminomethyl)-1-methylpyridinium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.37 Å R-free 0.248 |
| 7H1Z PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198149728 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1AJU 4-ethenyl-1H-imidazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.38 Å R-free 0.237 |
| 7H20 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z4605084899 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 3 A1AJV 3-ethenyl-1,2-dimethyl-pyrazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.39 Å R-free 0.246 |
| 7H21 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1269221363 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1AJY 3-ethenyl-1-methyl-pyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.46 Å R-free 0.260 |
| 7H22 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1102357527 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | YX6 N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide × 2 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.55 Å R-free 0.266 |
| 7H23 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1148747945 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 WKY N-(3-methylpyridin-4-yl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.49 Å R-free 0.263 |
| 7H24 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1165350851 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1AJZ 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.64 Å R-free 0.267 |
| 7H25 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198158918 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 K4R 1H-indazole-3-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.56 Å R-free 0.265 |
| 7H26 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198317053 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1AJ0 (5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.85 Å R-free 0.284 |
| 7H27 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1203191681 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 5 A1AJ1 N-[(1H-imidazol-2-yl)methyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.35 Å R-free 0.242 |
| 7H28 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1216833237 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1AJ2 N-methylisoquinolin-1-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.80 Å R-free 0.249 |
| 7H29 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1269184613 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 Z2F 1,3-benzothiazole-6-sulfonamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.77 Å R-free 0.287 |
| 7H2A PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1269220427 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 Z2Z 8-(methanesulfonyl)quinoline × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.71 Å R-free 0.277 |
| 7H2B PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1272517105 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 9 A1AJ3 {(1S,2S)-1-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl}methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.60 Å R-free 0.253 |
| 7H2C PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1328968520 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 J4Q 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.40 Å R-free 0.249 |
| 7H2D PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1397964787 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 GWP 2-cyclopropyl-1~{H}-imidazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.57 Å R-free 0.281 |
| 7H2E PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1428159350 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1AJ5 (1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.36 Å R-free 0.255 |
| 7H2F PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1491215378 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 A1AJ6 N-(piperidin-4-yl)methanesulfonamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.38 Å R-free 0.242 |
| 7H2G PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1509195674 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 ZA9 4-[(3S)-piperidin-3-yl]-1H-indole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.25 Å R-free 0.230 |
| 7H2H PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1575274523 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1AJ4 [(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-1,3-benzimidazol-2-yl]acetonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.42 Å R-free 0.248 |
| 7H2I PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1587220559 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 T1J 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.32 Å R-free 0.244 |
| 7H2J PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1787627869 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 K07 5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.76 Å R-free 0.292 |
| 7H2K PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z18769001 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1AJ7 (2S)-2-(2-cyanophenoxy)propanamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.59 Å R-free 0.267 |
| 7H2L PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z19755216 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 TT3 2-(3-fluorophenoxy)-N,N-dimethylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.37 Å R-free 0.238 |
| 7H2M PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z228586974 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 A1AJ8 (3-fluorophenyl)(piperazin-1-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.71 Å R-free 0.286 |
| 7H2N PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z228587394 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1AJ9 4-methoxy-2-(piperazin-1-yl)pyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.73 Å R-free 0.260 |
| 7H2O PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z234898257 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 UWD N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.71 Å R-free 0.260 |
| 7H2P PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z2509342103 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | A1AKA (8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.45 Å R-free 0.239 |
| 7H2Q PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270760338 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1AKB N,N-dimethylpiperazine-1-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.53 Å R-free 0.270 |
| 7H2R PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z31735562 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 6 GWA ~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.32 Å R-free 0.241 |
| 7H2S PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z396117078 Deposited 2024-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1AKC N-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.57 Å R-free 0.267 |
| 7HOJ PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1269184291 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1BG6 3-bromanyl-1-methyl-pyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.39 Å R-free 0.250 |
| 7HOK PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1272480091 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 O2J (2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.55 Å R-free 0.288 |
| 7HOL PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1619958679 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 ZUC 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.32 Å R-free 0.237 |
| 7HOM PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z2048325751 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1BGH (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.48 Å R-free 0.263 |
| 7HOO PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014643-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1BGX (2P)-2-(5-methoxypyridin-3-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.49 Å R-free 0.284 |
| 7HOP PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014657-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 5 A1BGY 5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.50 Å R-free 0.280 |
| 7HOQ PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014708-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BGZ (2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.43 Å R-free 0.260 |
| 7HOR PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014712-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BG0 (2P)-2-(2-methoxypyridin-4-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.81 Å R-free 0.267 |
| 7HOS PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014657-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BGY 5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.60 Å R-free 0.292 |
| 7HOT PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014668-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 6 A1BG2 N-(3-methylpyridin-4-yl)-3-(1,3-thiazol-2-yl)benzamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.59 Å R-free 0.287 |
| 7HOU PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014704-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BG3 (2P)-2-(6-fluoro-5-methylpyridin-3-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.48 Å R-free 0.283 |
| 7HOV PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014707-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 A1BGM 3-chloro-5-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.69 Å R-free 0.276 |
| 7HOW PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014812-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 A1BGL N-[2-(methanesulfonyl)-5-(piperazin-1-yl)phenyl]quinoline-5-carboxamide × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.45 Å R-free 0.288 |
| 7HOX PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014821-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BGK (2P)-2-(6-methoxypyridin-3-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.67 Å R-free 0.281 |
| 7HOY PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014767-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BGJ 3-chloro-5-[(E)-({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methylidene)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.66 Å R-free 0.287 |
| 7HOZ PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014795-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BGI N-(1-methyl-1H-pyrazol-4-yl)quinoline-5-carboxamide × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.58 Å R-free 0.311 |
| 7HP0 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014812-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 5 A1BGL N-[2-(methanesulfonyl)-5-(piperazin-1-yl)phenyl]quinoline-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.91 Å R-free 0.292 |
| 7HP1 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014738-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BG8 N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.84 Å R-free 0.269 |
| 7HP2 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014767-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 10 A1BHC 3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.54 Å R-free 0.296 |
| 7HP3 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014790-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BHB N-[(8S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]quinoline-5-carboxamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.84 Å R-free 0.280 |
| 7HP4 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014856-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 5 A1BG4 (2M)-2-[6-(methylamino)pyridin-3-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.48 Å R-free 0.297 |
| 7HP5 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014897-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BHA 4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.00 Å R-free 0.283 |
| 7HP6 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014903-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 5 A1BG5 (4R)-2-methyl-N-(3-methylpyridin-4-yl)imidazo[1,2-a]pyridine-7-carboxamide × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.61 Å R-free 0.299 |
| 7HP7 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014939-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 5 A1BGN (8S)-7-{[6-methoxy-2-(piperazin-1-yl)pyrimidin-4-yl]methoxy}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.86 Å R-free 0.286 |
| 7HP8 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014942-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BGO N-(3-methylpyridin-4-yl)-5-propanamidopyridine-3-carboxamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.74 Å R-free 0.294 |
| 7HP9 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015097-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1BGP {2-[(3R)-piperidin-3-yl]-1,3-thiazol-4-yl}[(3S)-3-(pyridin-3-yl)pyrrolidin-1-yl]methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.16 Å R-free 0.317 |
| 7HPA PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015164-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 5 A1BGQ N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.58 Å R-free 0.273 |
| 7HPB PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015080-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1BGR N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.16 Å R-free 0.280 |
| 7HPC PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015093-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 A1BGW 4-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-5-carboxamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.10 Å R-free 0.286 |
| 7HPD PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015216-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | A1BGV N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.63 Å R-free 0.270 |
| 7HPE PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015259-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1BGU N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.02 Å R-free 0.281 |
| 7HPF PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015286-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1BG9 4-methyl-2-[(3S)-piperidin-3-yl]-N-(pyridin-2-yl)-1H-imidazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.95 Å R-free 0.325 |
| 7HPG PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015487-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BGT N-(3-methylpyridin-4-yl)-2-oxo-1-{[(3R)-pyrrolidin-3-yl]methyl}-1,2-dihydropyridine-3-carboxamide × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.66 Å R-free 0.289 |
| 7HPH PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015442-001 Deposited 2024-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1BGS 4-methoxy-2-(piperazin-1-yl)-6-{[2-(piperazin-1-yl)pyridin-4-yl]methyl}pyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.34 Å R-free 0.292 |
| 7I1K PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011172-001-002 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BXC 5-chloroquinolin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.13 Å R-free 0.289 |
| 7I1L PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0000865-003-002 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | SO4 SULFATE ION × 5 DMS DIMETHYL SULFOXIDE × 4 A1BXE N-(5-amino-2-methylphenyl)-3-methylbenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.81 Å R-free 0.313 |
| 7I1M PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011177-001-002 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BXF 7,8-dichloro-2-methylquinolin-4-amine × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.01 Å R-free 0.281 |
| 7I1N PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011710-001-001 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 A1BXG (5P)-8-methyl-5-(2-methyl-1H-imidazol-4-yl)quinoline × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.77 Å R-free 0.292 |
| 7I1O PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011739-001-002 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 A1BXH 8-chloroquinolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.13 Å R-free 0.311 |
| 7I1P PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011741-001-001 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 5 A1BXI 2-[(2,8-dimethylquinolin-4-yl)oxy]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.99 Å R-free 0.306 |
| 7I1Q PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011753-001-001 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 A1BXJ ethyl 4-amino-8-cyanoquinoline-3-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.73 Å R-free 0.313 |
| 7I1S PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0012445-001-001 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 5 A1BXL N-(quinolin-8-yl)piperidine-4-carboxamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.86 Å R-free 0.322 |
| 7I1T PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0012466-002-003 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 A1BXM N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]piperidine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.86 Å R-free 0.286 |
| 7I1V PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0012625-001-002 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BXN isoquinolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.97 Å R-free 0.281 |
| 7I1W PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with 3632-JP-070-010 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BXO (1r,4r)-4-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclohexane-1-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.67 Å R-free 0.314 |
| 7I1Y PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with 3632-JP-070-004 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BXP (1s,3s)-3-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclobutane-1-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.95 Å R-free 0.311 |
| 7I1Z PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with NegAcid1-Am02 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 A1BXQ [(3R)-3-aminopyrrolidin-1-yl](2-{[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl}phenyl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.72 Å R-free 0.301 |
| 7I20 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with NegAcid3-Am02 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1BXR 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.92 Å R-free 0.284 |
| 7I21 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with NegAcid3-Am03 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 4 A1BXS 1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.83 Å R-free 0.305 |
| 7I22 PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Amine4-Ac06 Deposited 2025-02-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1BXV N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.91 Å R-free 0.286 |
| 7I9J Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0016806-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 2 A1B89 benzyl (3-{[3-(aminomethyl)phenyl]carbamoyl}-5-chlorophenyl)carbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.74 Å R-free 0.282 |
| 7I9K Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0017670-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1B88 benzyl (3-{[3-(2-aminoethyl)phenyl]carbamoyl}-5-chlorophenyl)carbamate × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.75 Å R-free 0.276 |
| 7I9L Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0017692-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1B87 benzyl (3-{[4-(2-aminoethyl)phenyl]carbamoyl}-5-chlorophenyl)carbamate × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.55 Å R-free 0.246 |
| 7I9M Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0017733-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B86 benzyl [3-({4-[(1R)-1-aminoethyl]phenyl}carbamoyl)-5-chlorophenyl]carbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.86 Å R-free 0.261 |
| 7I9N Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0022474-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B85 (4S)-N-[3-(aminomethyl)phenyl]-2-[(pyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.72 Å R-free 0.269 |
| 7I9O Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0022538-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B9O N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.96 Å R-free 0.289 |
| 7I9P Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0027707-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 3 A1B9N 3-(aminomethyl)-5-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.54 Å R-free 0.259 |
| 7I9Q Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0028904-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1B9L (2R)-(6-chloro-1H-indazol-4-yl)[(2,3-dihydro-1H-isoindol-5-yl)amino]acetonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.02 Å R-free 0.278 |
| 7I9R Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029000-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B9M (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(propan-2-yl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.60 Å R-free 0.291 |
| 7I9S Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029002-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1B9C 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.72 Å R-free 0.266 |
| 7I9T Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029045-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B9D 3-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)naphthalene-1-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.67 Å R-free 0.302 |
| 7I9U Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029491-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1B9E (2R)-2-(3-chloro-5-cyclopropylphenyl)-N-(2,2-difluoroethyl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.16 Å R-free 0.274 |
| 7I9V Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029424-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B9G 6-chloro-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1H-indazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.35 Å R-free 0.294 |
| 7I9W Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029497-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B9F N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-indazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.19 Å R-free 0.290 |
| 7I9X Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029394-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8Q N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-1,2,3-benzotriazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.19 Å R-free 0.260 |
| 7I9Y Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029881-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8P ethyl 5-[({(2R)-2-(3-chloro-5-cyclopropylphenyl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]acetyl}amino)methyl]-1,3-oxazole-4-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.68 Å R-free 0.269 |
| 7I9Z Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029804-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8O (2R)-2-(6-chloro-1H-indazol-4-yl)-N-methyl-2-[(3-oxo-1,3-dihydro-2-benzofuran-5-yl)amino]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.29 Å R-free 0.263 |
| 7IA0 Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029796-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8N N-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzothiazole-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.39 Å R-free 0.312 |
| 7IA1 Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029758-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8K N-(2,3-dihydro-1H-isoindol-5-yl)-1H-pyrazolo[3,4-c]pyridine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.53 Å R-free 0.303 |
| 7IA2 Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029832-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8J N-(2,3-dihydro-1H-isoindol-5-yl)-7-fluoro-1H-indole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.03 Å R-free 0.287 |
| 7IA3 Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029909-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8I 3-chloro-4-cyano-N-(2,3-dihydro-1H-isoindol-5-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.12 Å R-free 0.279 |
| 7IA4 Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029864-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8H N-(2,3-dihydro-1H-isoindol-5-yl)-1H-1,3-benzimidazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.12 Å R-free 0.275 |
| 7IA5 Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029816-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1B8M N-(2,3-dihydro-1H-isoindol-5-yl)-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.03 Å R-free 0.278 |
| 7IA6 Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029835-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8L 6-acetamido-N-(2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.04 Å R-free 0.282 |
| 7IA7 Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029916-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8W 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.31 Å R-free 0.299 |
| 7IA8 Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029899-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 2 A1B8V N-(2,3-dihydro-1H-isoindol-5-yl)-2-methyl-2H-indazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.13 Å R-free 0.297 |
| 7IA9 Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029890-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8U 3-amino-N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzoxazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.25 Å R-free 0.273 |
| 7IAA Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029888-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8T (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(oxan-4-yl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.95 Å R-free 0.283 |
| 7IAB Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029928-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8S (2P)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-1,2,4-triazol-1-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.15 Å R-free 0.304 |
| 7IAC Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029858-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8R N-(2,3-dihydro-1H-isoindol-5-yl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-7-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.15 Å R-free 0.265 |
| 7IAD Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029875-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B9I 5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-methyl-1H-1,3-benzimidazole-7-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.35 Å R-free 0.282 |
| 7IAE Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029783-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B9J N-(2,3-dihydro-1H-isoindol-5-yl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.44 Å R-free 0.301 |
| 7IAF Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029814-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B9K (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(2-methylpropyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.34 Å R-free 0.298 |
| 7IAG Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029905-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B9B (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-propylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.76 Å R-free 0.307 |
| 7IAH Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029845-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B84 (2S)-[(2,3-dihydro-1H-isoindol-5-yl)amino](isoquinolin-4-yl)acetonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.19 Å R-free 0.314 |
| 7IAI Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029753-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B83 N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.88 Å R-free 0.259 |
| 7IAJ Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029751-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B82 6-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.20 Å R-free 0.294 |
| 7IAK Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029797-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B81 N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzothiazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.15 Å R-free 0.281 |
| 7IAL Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029640-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B80 (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-[(4-methylbenzene-1-sulfonyl)methyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.15 Å R-free 0.295 |
| 7IAM Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029540-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8Z (2M)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-imidazol-1-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.94 Å R-free 0.269 |
| 7IAN Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029729-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8Y (7R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.86 Å R-free 0.265 |
| 7IAO Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029543-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B8X (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-[(oxan-4-yl)methyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.24 Å R-free 0.302 |
| 7IAP Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029723-001 Deposited 2025-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Mutation：None | DMS DIMETHYL SULFOXIDE × 1 A1B9A 6-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 2.35 Å R-free 0.282 |
| 7O55 Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2231 Deposited 2021-04-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
20 % PEG2000
macroseeding was performed to obtain larger crystal
|
Resolution 1.95 Å R-free 0.234 |
| 7OBV Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2248 Deposited 2021-04-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
3 % PEG2000
|
Resolution 1.30 Å R-free 0.154 |
| 7OC2 Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2295 Deposited 2021-04-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
19 % PEG2000
|
Resolution 1.50 Å R-free 0.155 |
| 7PFQ Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2247 Deposited 2021-08-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
15% PEG2000
|
Resolution 1.45 Å R-free 0.154 |
| 7PFY Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2241 Deposited 2021-08-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
20% PEG2000
|
Resolution 1.38 Å R-free 0.189 |
| 7PFZ Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2267 Deposited 2021-08-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
16% PEG2000
|
Resolution 1.45 Å R-free 0.172 |
| 7PG1 Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2221 Deposited 2021-08-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
17% PEG2000
|
Resolution 1.95 Å R-free 0.238 |
| 7PGC Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2191 Deposited 2021-08-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
9 % PEG2000
|
Resolution 1.55 Å R-free 0.171 |
| 7VLG Crystal structure of Zika NS2B-NS3 protease with compound MI2201 Deposited 2021-10-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | SO4 SULFATE ION × 1 7PZ 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-5-propan-2-yl-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；2M Ammonium Sulfate
|
Resolution 1.77 Å R-free 0.197 |
| 7VLH Crystal structure of Zika NS2B-NS3 protease with compound MI2219 Deposited 2021-10-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | 7Q3 1-[(3~{S},6~{R},18~{R})-3,6-bis(4-azanylbutyl)-2,5,8,11,14,17-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclodocos-18-yl]guanidine × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；2M Ammonium Sulfate
|
Resolution 2.62 Å R-free 0.289 |
| 7VLI Crystal structure of Zika NS2B-NS3 protease with compound MI2220 Deposited 2021-10-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
|
Not recorded | 7QG 1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；2M Ammonium Sulfate
|
Resolution 2.38 Å R-free 0.288 |
| 7ZLC Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Inhibitor MI-2224 Deposited 2022-04-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | IXU (2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
17 % PEG2000
|
Resolution 1.75 Å R-free 0.223 |
| 7ZLD Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Inhibitor MI-2223 Deposited 2022-04-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | IY3 (2~{S})-2-[2-[3-(aminomethyl)phenyl]ethanoylamino]-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-[[(5~{R})-6-azanyl-5-carbamimidamido-6-oxidanylidene-hexyl]amino]-1-oxidanylidene-hexan-2-yl]hexanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
19 % PEG2000
macroseeding was performed to obtain larger crystal
|
Resolution 1.61 Å R-free 0.210 |
| 7ZMI Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Inhibitor MI-2113 Deposited 2022-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | IXJ (2~{R})-6-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-(2-phenylethanoylamino)hexanoyl]amino]hexanoyl]amino]-2-carbamimidamido-hexanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
16 % PEG2000
|
Resolution 2.15 Å R-free 0.231 |
| 7ZNO Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Boronate Inhibitor MI-2270 Deposited 2022-04-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | JQI [(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
24 % PEG 2000
|
Resolution 1.70 Å R-free 0.225 |
| 7ZPD Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2293 Deposited 2022-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | JVC 1-[(8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
11 % PEG2000
|
Resolution 1.40 Å R-free 0.152 |
| 7ZQ1 Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2205 Deposited 2022-04-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | JVL 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
20 % PEG2000
macroseeding was performed to obtain larger crystal
|
Resolution 1.52 Å R-free 0.163 |
| 7ZQF Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2206 Deposited 2022-04-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | GOL GLYCEROL × 1 JW6 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-[(3-azanyl-4-oxidanyl-phenyl)methyl]-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
1.8 M ammonium sulfate
|
Resolution 1.68 Å R-free 0.166 |
| 7ZTM Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2128 Deposited 2022-05-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | JVU 1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1 M sodium acetate
0.2 M ammonium sulfate
18 % PEG2000
|
Resolution 1.45 Å R-free 0.175 |
| 7ZUM Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2130 Deposited 2022-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | JN9 1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0,1 M sodium acetate pH4.6
1,4 M ammonium sulfate
|
Resolution 1.75 Å R-free 0.204 |
| 7ZV4 Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2195 Deposited 2022-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | IBW 1-[(5R,8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-5-(cyclohexylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6
0.2 M ammonium sulfate
18 % PEG2000
|
Resolution 1.69 Å R-free 0.196 |
| 7ZVV Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2196 Deposited 2022-05-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | V7T (2R)-6-azanyl-2-carbamimidamido-hexanoic acid × 1 ZAL 3-cyclohexyl-D-alanine × 1 V8N 2-[3-(aminomethyl)phenyl]ethanoic acid × 1 4CF 4-cyano-L-phenylalanine × 1 3CF 3-cyano-L-phenylalanine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6
0.2 M ammonium sulfate
18% PEG2000
|
Resolution 1.75 Å R-free 0.222 |
| 7ZW5 Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2259 Deposited 2022-05-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | JG0 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(2-carbamimidamidoethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6
0.2 M ammonium sulfate
14% PEG2000
|
Resolution 1.38 Å R-free 0.156 |
| 7ZWK Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2162 Deposited 2022-05-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6
0.2 M ammonium sulfate
22% PEG2000
|
Resolution 2.00 Å R-free 0.222 |
| 7ZYS Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2227 Deposited 2022-05-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | KNR 1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate
0.2 M ammonium sulfate
16% PEG2000
|
Resolution 1.26 Å R-free 0.152 |
| 8A15 Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2230 Deposited 2022-05-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | KPO 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6
0.2 M ammonium sulfate
21% PEG2000
|
Resolution 1.23 Å R-free 0.146 |
| 8AQA Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2260 Deposited 2022-08-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6
0.2 M ammonium sulfate
16% PEG 2000
|
Resolution 1.35 Å R-free 0.165 |
| 8AQB Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2257 Deposited 2022-08-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6
0.2 M ammonium sulfate
15% PEG2000
|
Resolution 1.28 Å R-free 0.154 |
| 8AQK Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2258 Deposited 2022-08-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1414–1464（51 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6
0.2 M ammonium sulfate
17% PEG2000
|
Resolution 1.20 Å R-free 0.147 |
| 8PEM Zika Methyltransferase in complex with AT-9010 and SAH Deposited 2023-06-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2517–2780（264 aa）
|
Not recorded | AT9 [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 1 SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；25% PEG3350, 0.1M Sodium HEPES 7.5, 0.2M Magnesium chloride hexahydrate
|
Resolution 2.00 Å R-free 0.259 |
| 8PN6 Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus Deposited 2023-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.61 Å R-free 0.258 |
| 8UM3 PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 Deposited 2023-10-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 W41 6-chlorotetrazolo[1,5-b]pyridazine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.12 M NPS Mix (0.3 M Sodium phosphate dibasic dihydrate, 0.3 M Ammonium sulphate and 0.3 M Sodium nitrate - Molecular Dimensions), 0.1 M MES/Imidazole pH 6.5 (Molecular Dimensions) and 33% Precipitant Mix 4 (11% MPD, 11% PEG 1,000 e 11% PEG 3,350
|
Resolution 1.93 Å R-free 0.239 |
| 8V0H Structural characterization of zika virus NS2B by NMR and RosettaMP Deposited 2023-11-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1369–1498（130 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7；298 K；Ionic strength (raw mmCIF value) 0；Pressure 1
NMR sample composition
20 mM sodium phosphate, 0.1 % w/v sodium dodecyl sulfate, 2 mM beta-mercaptoethanol, 5 mM sodium azide, 100 % [U-2H] D2O | 100 % [U-2H] D2O
|
Resolution not provided |
| 8V7R PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132 Deposited 2023-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 1 YG9 (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione × 2 DMS DIMETHYL SULFOXIDE × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；11.5% PEG 1000 11.5% PEG 3350 11.5% MPD 0.09 M NPS 0.1 M MES-imidazole pH 6.7
|
Resolution 1.41 Å R-free 0.206 |
| 8V7U PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 Deposited 2023-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | DMS DIMETHYL SULFOXIDE × 8 EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 YDU 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；11.5% PEG 1000 11.5% PEG 3350 11.5% MPD 0.09 M NPS 0.1 M MES-imidazole pH 6.7
|
Resolution 1.82 Å R-free 0.215 |
| 8WN8 CryoEM structure of ZIKV rsNS1 Deposited 2023-10-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain B
791–1143（353 aa）
Chain C
791–1143（353 aa）
Chain D
791–1143（353 aa）
Chain E
791–1143（353 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 8WNP ZIKV rsNS1 in complex with Fab AA12 and anti-fab nanobody Deposited 2023-10-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain E
791–1142（352 aa）
Chain F
791–1142（352 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 8WNU ZIKV rsNS1 in complex with Fab GB5 and anti-fab nanobody Deposited 2023-10-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain E
791–1142（352 aa）
Chain F
791–1142（352 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å |
| 8WO4 ZIKV rsNS1 in complex with Fab EB9 and anti-fab nanobody Deposited 2023-10-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain E
791–1143（353 aa）
Chain F
791–1143（353 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.80 Å |
| 8Y9V ZIKV NS2B/NS3 protease Deposited 2024-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1516–1668（153 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG 20% 2000, ammonium sulfate 0.2 M, sodium acetate trihydrate 0.1 M
|
Resolution 1.90 Å R-free 0.248 |
| 8Y9V ZIKV NS2B/NS3 protease Deposited 2024-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
1511–1671（161 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG 20% 2000, ammonium sulfate 0.2 M, sodium acetate trihydrate 0.1 M
|
Resolution 1.90 Å R-free 0.248 |
| 9QS2 Crystal structure of Zika Virus NS2B-NS3 protease in complex with Z100582766 Deposited 2025-04-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1500–1675（176 aa）
|
Mutation：R107K, C143S | A1I9X 1-methyl-~{N}-(pyridin-2-ylmethyl)pyrazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；26 % (w/v) PEG 2000, 0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate
|
Resolution 1.65 Å R-free 0.225 |
| 9QSP Crystal structure of Zika Virus NS2B-NS3 protease in complex with Z2242050769 Deposited 2025-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1500–1675（176 aa）
|
Mutation：C143S, R107K | A1JAB ~{N}-(2,2-dimethylpropyl)pyridin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293.15 K；24 % (w/v) PEG 2000, 0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate
|
Resolution 1.40 Å R-free 0.216 |
| 9RGA Crystal structure of Zika NS2B-NS3 protease in complex with follow-up compound EOS87208 from ECBL Deposited 2025-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1500–1675（176 aa）
|
Mutation：C143S, R107K | A1JFZ (3,5-dimethylfuran-2-yl)-[(2~{S})-2-(methylaminomethyl)pyrrolidin-1-yl]methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate, 24 % (w/v) PEG 2000
|
Resolution 1.38 Å R-free 0.190 |
| 9RGA Crystal structure of Zika NS2B-NS3 protease in complex with follow-up compound EOS87208 from ECBL Deposited 2025-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1414–1464（51 aa）
Chain D
1500–1675（176 aa）
|
Mutation：C143S, R107K | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate, 24 % (w/v) PEG 2000
|
Resolution 1.38 Å R-free 0.190 |
| 9RGF Crystal structure of Zika NS2B-NS3 protease in complex with follow-up compound EOS41783 from ECBL Deposited 2025-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1500–1675（176 aa）
|
Mutation：C143S, R107K | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate, 24 % (w/v) PEG 2000
|
Resolution 1.60 Å R-free 0.216 |
| 9RGF Crystal structure of Zika NS2B-NS3 protease in complex with follow-up compound EOS41783 from ECBL Deposited 2025-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1414–1464（51 aa）
Chain D
1500–1675（176 aa）
|
Mutation：C143S, R107K | A1JF3 ~{N}-[(2~{S})-2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)propyl]-5-methyl-furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate, 24 % (w/v) PEG 2000
|
Resolution 1.60 Å R-free 0.216 |
| 9RGG Crystal structure of Zika NS2B-NS3 protease in complex with follow-up compound EOS90861 from ECBL Deposited 2025-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1464（51 aa）
Chain B
1500–1675（176 aa）
|
Mutation：C143S, R107K | A1JF2 3-[[[(2~{R})-2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-ethyl]amino]methyl]quinolin-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate, 24 % (w/v) PEG 2000
|
Resolution 1.58 Å R-free 0.208 |
| 9RGG Crystal structure of Zika NS2B-NS3 protease in complex with follow-up compound EOS90861 from ECBL Deposited 2025-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1414–1464（51 aa）
Chain D
1500–1675（176 aa）
|
Mutation：C143S, R107K | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate, 24 % (w/v) PEG 2000
|
Resolution 1.58 Å R-free 0.208 |
| 9RM4 Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015373 Deposited 2025-06-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain AAA
1414–1457（44 aa）
Chain AAA
1509–1675（167 aa）
Chain BBB
1414–1457（44 aa）
Chain BBB
1509–1675（167 aa）
|
Not recorded | A1JHM ~{N}-[3-chloranyl-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]phenyl]-5-[(dimethylamino)methyl]-1~{H}-pyrrole-2-carboxamide × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.95 Å R-free 0.278 |
| 9RM6 Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0027808 Deposited 2025-06-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain A
1509–1675（167 aa）
Chain B
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Not recorded | A1JHN 6-chloranyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-1~{H}-indazole-4-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.50 Å R-free 0.228 |
| 9RM7 Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0036543 Deposited 2025-06-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1457（44 aa）
Chain A
1509–1675（167 aa）
Chain B
1414–1457（44 aa）
Chain B
1509–1675（167 aa）
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 A1JHL (2~{S})-~{N}-[2,2-bis(fluoranyl)ethyl]-2-(2,3-dihydro-1~{H}-isoindol-5-ylamino)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)
|
Resolution 1.45 Å R-free 0.222 |
| 9WA5 Crystal structure of an inactive form of NS2B-NS3 Protease Deposited 2025-08-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1414–1435（22 aa）
Chain A
1499–1675（177 aa）
Chain B
1414–1435（22 aa）
Chain B
1499–1675（177 aa）
|
Not recorded | MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.03M Magnesium chloride hexahydrate, 0.03M Calcium chloride dihydrate, 0.1M Buffer Tris (base)/BICINE 8.5, 20% v/v Ethylene glycol, 10% w/v PEG 8000
|
Resolution 2.40 Å R-free 0.242 |
| 9Y51 PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1563512128 Deposited 2025-09-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1681–2115（435 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 M0J N-[(2S)-2-hydroxypropyl]-N'-phenylurea × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；11.5% PEG1000, 11.5% PEG3350, 11.5% MPD, 0.09 M NPS, 0.1 M MES-imidazole, pH 6.7
|
Resolution 1.73 Å R-free 0.213 |
263 other PDB entries and 302 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | POLG_ZIKV |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain B； PDBConstruct 1–352； UniProt 791–1142 Author chain C； PDBConstruct 1–352； UniProt 791–1142 Author chain D； PDBConstruct 1–352； UniProt 791–1142 Author chain E； PDBConstruct 1–352； UniProt 791–1142 Author chain F； PDBConstruct 1–352； UniProt 791–1142 Author chain G； PDBConstruct 1–352； UniProt 791–1142 Author chain K； PDBConstruct 1–352； UniProt 791–1142 Author chain L； PDBConstruct 1–352； UniProt 791–1142 Author chain M； PDBConstruct 1–352； UniProt 791–1142 Author chain N； PDBConstruct 1–352； UniProt 791–1142 |
