6HKJ

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-19-1

Summary for 6HKJ

• Entry DOI: 10.2210/pdb6hkj/pdb
• Descriptor: Glutamate carboxypeptidase 2, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (10 entities in total)
• Functional Keywords: glutamate carboxypeptidase ii (gcpii); naaladase; prostate-specific membrane antigen; urea based inhibitor, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 82930.45

Authors

Motlova, L.,Novakova, Z.,Barinka, C. (deposition date: 2018-09-06, release date: 2018-12-05, Last modification date: 2024-10-23)

Primary citation

Nakajima, R.,Novakova, Z.,Tueckmantel, W.,Motlova, L.,Barinka, C.,Kozikowski, A.P.
2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9:1099-1104, 2018

PubMed Abstract: The design and synthesis of prostate specific membrane antigen (PSMA) ligands derived from 2-aminoadipic acid, a building block that has not previously been used to construct PSMA ligands, are reported. The effects of both the linker length and of an N-substituent of our PSMA ligands were probed, and X-ray structures of five of these ligands bound to PSMA were obtained. Among the ligands disclosed herein, showed the highest inhibitory activity for PSMA. As ligand can readily be radiolabeled since its fluorine atom is adjacent to the nitrogen atom of its pyridine ring, the use of this and related compounds as theranostics can be pursued.

PubMed: 30429952
DOI: 10.1021/acsmedchemlett.8b00318

Experimental method

X-RAY DIFFRACTION (2.09 Å)