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Structure paper

TitleApplication of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Journal, issue, pagesChemmedchem, Vol. 19, Page e202400025-e202400025, Year 2024
Publish dateOct 16, 2023 (structure data deposition date)
AuthorsLang, S. / Fletcher, D.A. / Petit, A.P. / Luise, N. / Fyfe, P. / Zuccotto, F. / Porter, D. / Hope, A. / Bellany, F. / Kerr, C. ...Lang, S. / Fletcher, D.A. / Petit, A.P. / Luise, N. / Fyfe, P. / Zuccotto, F. / Porter, D. / Hope, A. / Bellany, F. / Kerr, C. / Mackenzie, C.J. / Wyatt, P.G. / Gray, D.W.
External linksChemmedchem / PubMed:38581280
MethodsX-ray diffraction
Resolution1.38 - 2.7 Å
Structure data

PDB-8qub:
Hexameric HIV-1 CA in complex with DDD00074110
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-8quh:
Hexameric HIV-1 CA in complex with DDD00057456
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-8qui:
Hexameric HIV-1 CA in complex with DDD00024969
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-8quj:
Hexameric HIV-1 CA in complex with DDD00100452
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-8quk:
Hexameric HIV-1 CA in complex with DDD00100439
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

PDB-8qul:
Hexameric HIV-1 CA in complex with DDD00100555
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-8quw:
Hexameric HIV-1 CA in complex with DDD01044153
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-8qux:
Hexameric HIV-1 CA in complex with DDD00100333
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-8quy:
Hexameric HIV-1 CA in complex with DDD01728501
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-8qv1:
Hexameric HIV-1 CA in complex with DDD01728505
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-8qv4:
Hexameric HIV-1 CA in complex with DDD01728503
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-8qv9:
Hexameric HIV-1 CA in complex with DDD01829021
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-8qva:
Hexameric HIV-1 CA in complex with DDD01829894
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals


ChemComp, No image

ChemComp-WVZ:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-AJ2:
4-methylquinolin-2-ol

ChemComp-XXL:
ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate

ChemComp-EDO:
1,2-ETHANEDIOL


ChemComp, No image

ChemComp-WWR:
Unknown entry


ChemComp, No image

ChemComp-WVU:
Unknown entry

ChemComp-3IP:
3-(BENZYLOXY)PYRIDIN-2-AMINE


ChemComp, No image

ChemComp-WZR:
Unknown entry

ChemComp-S0I:
4-benzyl-3,4-dihydroquinoxalin-2(1H)-one


ChemComp, No image

ChemComp-X0L:
Unknown entry


ChemComp, No image

ChemComp-X0H:
Unknown entry


ChemComp, No image

ChemComp-WZX:
Unknown entry


ChemComp, No image

ChemComp-WZL:
Unknown entry


ChemComp, No image

ChemComp-WZ9:
Unknown entry

Source
  • human immunodeficiency virus 1
KeywordsVIRAL PROTEIN / Capsid

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