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Structure paper

TitleGroup deposition for combi-soaks of Chikungunya virus nsP3 macrodomain
Journal, issue, pagesTo Be Published
Publish dateOct 2, 2024 (structure data deposition date)
AuthorsAschenbrenner, J.C. / Fairhead, M. / Godoy, A.S. / Balcomb, B.H. / Capkin, E. / Chandran, A.V. / Golding, M. / Koekemoer, L. / Lithgo, R.M. / Marples, P.G. ...Aschenbrenner, J.C. / Fairhead, M. / Godoy, A.S. / Balcomb, B.H. / Capkin, E. / Chandran, A.V. / Golding, M. / Koekemoer, L. / Lithgo, R.M. / Marples, P.G. / Ni, X. / Thompson, W. / Tomlinson, C.W.E. / Wild, C. / Winokan, M. / Xavier, M.-A.E. / Fearon, D. / von Delft, F.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.35 - 1.68 Å
Structure data

PDB-7hic:
Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z1267773765 (CHIKV_MacB-x1483)
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-7hid:
Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z50145861 (CHIKV_MacB-x1487)
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7hie:
Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z905065822 (CHIKV_MacB-x1488)
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-7hif:
Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z33546965 (CHIKV_MacB-x1491)
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-7hig:
Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z1165350851 (CHIKV_MacB-x1495)
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-7hih:
Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z3219959731 and Z4628744292 (CHIKV_MacB-x1689)
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

PDB-7hii:
Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z3219959731 and Z19674820 (CHIKV_MacB-x1734)
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7hij:
Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z4628744292 (CHIKV_MacB-x1739)
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

PDB-7hik:
Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z19674820 (CHIKV_MacB-x1742)
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

Chemicals

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-CL:
Unknown entry

PDB-1bb3:
HUMAN LYSOZYME MUTANT A96L

ChemComp-K34:
5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole

ChemComp-HOH:
WATER

ChemComp-W1P:
5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one / medication*YM

ChemComp-ZV5:
(5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione

PDB-1ap9:
X-RAY STRUCTURE OF BACTERIORHODOPSIN FROM MICROCRYSTALS GROWN IN LIPIDIC CUBIC PHASES

ChemComp-ONQ:
~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide

PDB-1ajz:
STRUCTURE OF DIHYDROPTEROATE PYROPHOSPHORYLASE

ChemComp-XJV:
imidazolidin-2-one

ChemComp-W3G:
pyridazin-3(2H)-one

PDB-1ap7:
P19-INK4D FROM MOUSE, NMR, 20 STRUCTURES

ChemComp-MPB:
4-HYDROXY-BENZOIC ACID METHYL ESTER

ChemComp-W3S:
[1,2,4]triazolo[4,3-a]pyridin-3-amine

Source
  • chikungunya virus
KeywordsVIRAL PROTEIN / Diamond Light Source / I04-1 / READDI / Chikungunya Virus / crystallographic fragment screening / combi-soaks / PanDDA / XChemExplorer

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