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Structure paper

TitleStructural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
Journal, issue, pagesJ. Chem. Inf. Model., Year 2024
Publish dateAug 28, 2014 (structure data deposition date)
AuthorsNovakova, Z. / Tehrani, Z.A. / Jurok, R. / Motlova, L. / Kutil, Z. / Pavlicek, J. / Shukla, S. / Choy, C.J. / Havlinova, B. / Baranova, P. ...Novakova, Z. / Tehrani, Z.A. / Jurok, R. / Motlova, L. / Kutil, Z. / Pavlicek, J. / Shukla, S. / Choy, C.J. / Havlinova, B. / Baranova, P. / Berkman, C.E. / Kuchar, M. / Cerny, J. / Barinka, C.
External linksJ. Chem. Inf. Model. / PubMed:38224368
MethodsX-ray diffraction
Resolution1.58 - 1.64 Å
Structure data

PDB-4w9y:
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a glutamyl sulfamide inhibitor CJC47
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-6sgp:
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-6skh:
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor sulfamide inhibitor GluAsp
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

Chemicals

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

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-3K0:
N-sulfamoyl-L-glutamic acid

ChemComp-HOH:
WATER

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-LDK:
(2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid

ChemComp-NA:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-BMA:
beta-D-mannopyranose

ChemComp-LHK:
(2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsHYDROLASE / glutamate carboxypeptidase II (GCPII) / NAALADase / prostate-specific membrane antigen / glutamyl sulfamide / glutamate carboxypeptidase II (GCPII); NAALADase; prostate-specific membrane antigen;sulfamide / glutamate carboxypeptidase II (GCPII); NAALADase; prostate-specific membrane antigen; sulfamide

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