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Structure paper

TitleCrystal structure of MurE from E.coli
Journal, issue, pagesTo Be Published
Publish dateDec 3, 2020 (structure data deposition date)
AuthorsKoekemoer, L. / Steindel, M. / Fairhead, M. / Talon, R. / Douangamath, A. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / von Delft, F. / Krojer, T.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.65 - 2.12 Å
Structure data

PDB-7b53:
Crystal structure of MurE from E.coli
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7b60:
Crystal structure of MurE from E.coli in complex with Z1269139261
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

PDB-7b61:
Crystal structure of MurE from E.coli in complex with Z57299526
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-7b68:
Crystal structure of MurE from E.coli in complex with Z57299526
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-7b6g:
Crystal structure of MurE from E.coli in complex with Z1675346324
Method: X-RAY DIFFRACTION / Resolution: 1.937 Å

PDB-7b6i:
Crystal structure of MurE from E.coli in complex with Z1373445602
Method: X-RAY DIFFRACTION / Resolution: 2.069 Å

PDB-7b6j:
Crystal structure of MurE from E.coli in complex with minifrag succinimide
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-7b6k:
Crystal structure of MurE from E.coli in complex with Z57715447
Method: X-RAY DIFFRACTION / Resolution: 1.838 Å

PDB-7b6l:
Crystal structure of MurE from E.coli in complex with Z57299368
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-7b6m:
Crystal structure of MurE from E.coli in complex with Z1198948504
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-7b6n:
Crystal structure of MurE from E.coli in complex with Z757284952
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-7b6o:
Crystal structure of E.coli MurE mutant - C269S C340S C450S
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

PDB-7b6p:
Crystal structure of E.coli MurE - C269S C340S C450S in complex with Ellman's reagent
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-7b6q:
Crystal structure of MurE from E.coli in complex with Z57299526
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-7b9e:
Crystal structure of MurE from E.coli in complex with Z275151340
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-7b9w:
Crystal structure of MurE from E.coli in complex with Z757284380
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-O3D:
4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione

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

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-CIT:
CITRIC ACID

ChemComp-SYQ:
(S)-N-(1-cyclopropylethyl)-6-methylpicolinamide

ChemComp-T3Z:
(R)-N-(1-cyclopropylethyl)-6-methylpicolinamide

ChemComp-LVV:
4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide

ChemComp-NUJ:
trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol

ChemComp-SZE:
4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one

ChemComp-SZB:
succinimide

ChemComp-SZ2:
5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole

ChemComp-SZK:
(1-ethyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee

ChemComp-SZN:
N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide

ChemComp-SYZ:
N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide

ChemComp-9JT:
N-phenyl-2-selanylbenzamide

ChemComp-WZD:
N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine

ChemComp-JHP:
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide

ChemComp-T4H:
3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide

Source
  • escherichia coli k12 (bacteria)
  • escherichia coli (strain k12) (bacteria)
  • escherichia coli (E. coli)
KeywordsBIOSYNTHETIC PROTEIN / UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2 / 6-diaminopimelate ligase cell wall biosynthesis ligase drug target / Structural Genomics / Structural Genomics Consortium / SGC / 6-diaminopimelate ligase cell wall biosynthesis ligase / drug target / fragment screening / Structural Genomics Consortium for Research on Gene Expression / SGCGES

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