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Structure paper

TitleRational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Journal, issue, pagesBioorg. Med. Chem., Vol. 22, Page 4099-4108, Year 2014
Publish dateNov 2, 2013 (structure data deposition date)
AuthorsTykvart, J. / Schimer, J. / Barinkova, J. / Pachl, P. / Postova-Slavetinska, L. / Majer, P. / Konvalinka, J. / Sacha, P.
External linksBioorg. Med. Chem. / PubMed:24954515
MethodsX-ray diffraction
Resolution1.63 - 2.31 Å
Structure data

PDB-4ngm:
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-4ngn:
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-4ngp:
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-4ngq:
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-4ngr:
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4ngs:
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-4ngt:
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.31 Å

Chemicals

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

ChemComp-ZN:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-JB7:
N-({(1S)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid

ChemComp-HOH:
WATER

ChemComp-J96:
N-{[(1S)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]acetyl}amino)pentyl]carbamoyl}-L-glutamic acid

ChemComp-J31:
N-{[(1S)-1-carboxy-5-{[2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)benzoyl]amino}pentyl]carbamoyl}-L-glutamic acid

ChemComp-J37:
N-({(1S)-6-(4-bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-L-glutamic acid

ChemComp-J21:
N-{[(1S)-5-({2-[2-(acetylamino)ethoxy]-4-bromobenzoyl}amino)-1-carboxypentyl]carbamoyl}-L-glutamic acid

ChemComp-J34:
N-{[(1S)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)pentyl]carbamoyl}-L-glutamic acid

ChemComp-NA:
Unknown entry

ChemComp-J42:
N-{[(1S)-5-({[4-bromo-2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-L-glutamic acid

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / hydrolase / glutamate carboxypeptidase II / PSMA / NAALADASE / urea-based inhibitor / caboxypeptidase / glycoprotein / metallopeptidase / HYDROLASE-HYDROLASE INHIBITOR complex / trasmembrane

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