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TitleIdentification of and Structural Insights into Hit Compounds Targeting N -Myristoyltransferase for Cryptosporidium Drug Development.
Journal, issue, pagesAcs Infect Dis., Vol. 9, Page 1821-1833, Year 2023
Publish dateNov 29, 2022 (structure data deposition date)
AuthorsFenwick, M.K. / Reers, A.R. / Liu, Y. / Zigweid, R. / Sankaran, B. / Shin, J. / Hulverson, M.A. / Hammerson, B. / Fernandez Alvaro, E. / Myler, P.J. ...Fenwick, M.K. / Reers, A.R. / Liu, Y. / Zigweid, R. / Sankaran, B. / Shin, J. / Hulverson, M.A. / Hammerson, B. / Fernandez Alvaro, E. / Myler, P.J. / Kaushansky, A. / Van Voorhis, W.C. / Fan, E. / Staker, B.L.
External linksAcs Infect Dis. / PubMed:37722671
MethodsX-ray diffraction
Resolution1.9 - 2.2 Å
Structure data

PDB-8fbm:
Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and inhibitor 1
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-8fbt:
Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-8fbu:
Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and Compound-2
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-MYA:
TETRADECANOYL-COA

ChemComp-XOF:
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-CL:
Unknown entry

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-XOL:
(2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

Source
  • cryptosporidium parvum (eukaryote)
  • cryptosporidium parvum iowa ii (eukaryote)
KeywordsTRANSFERASE/INHIBITOR / NMT / inhibitor / Myristoyl-CoA / MyrCoA / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / SSGCID / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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