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Structure paper

TitleNovel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 7535-7546, Year 2011
Publish dateJun 21, 2011 (structure data deposition date)
AuthorsPlechanovova, A. / Byun, Y. / Alquicer, G. / Skultetyova, L. / Mlcochova, P. / Nemcova, A. / Kim, H.J. / Navratil, M. / Mease, R. / Lubkowski, J. ...Plechanovova, A. / Byun, Y. / Alquicer, G. / Skultetyova, L. / Mlcochova, P. / Nemcova, A. / Kim, H.J. / Navratil, M. / Mease, R. / Lubkowski, J. / Pomper, M. / Konvalinka, J. / Rulisek, L. / Barinka, C.
External linksJ. Med. Chem. / PubMed:21923190
MethodsX-ray diffraction
Resolution1.65 - 1.7 Å
Structure data

PDB-3sje:
X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in complex with N-acetyl-aspartyl-aminononanoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3sjf:
X-ray structure of human glutamate carboxypeptidase II in complex with a urea-based inhibitor (A25)
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-3sjg:
Human glutamate carboxypeptidase II (E424A inactive mutant ) in complex with N-acetyl-aspartyl-aminooctanoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-3sjx:
X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in complex with N-acetyl-aspartyl-methionine
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-SDR:
(2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid

ChemComp-HOH:
WATER

ChemComp-JRG:
N~2~-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine

ChemComp-QRG:
N-acetyl-L-alpha-aspartyl-L-methionine

Source
  • homo sapiens (human)
KeywordsHydrolase/hydrolase inhibitor / hydrolase / metallopeptidase / Hydrolase-hydrolase inhibitor complex

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