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6FCE

NMR ensemble of Macrocyclic Peptidomimetic Containing Constrained a,a-dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors

Summary for 6FCE
Entry DOI10.2210/pdb6fce/pdb
NMR InformationBMRB: 34222
DescriptorACP-HIS-DPHE-ARG-TRP-ASP-NH2 (1 entity in total)
Functional Keywordsmelanocortin, peptidomimetics, amino acid, dialkylated, de novo protein
Biological sourcesynthetic construct
Total number of polymer chains1
Total formula weight870.98
Authors
Brancaccio, D.,Carotenuto, A.,Grieco, P.,Merlino, F.,Zhou, Y.,Cai, M.,Yousif, A.M.,Di Maro, S.,Novellino, E.,Hruby, V.J. (deposition date: 2017-12-20, release date: 2018-04-25, Last modification date: 2024-10-16)
Primary citationMerlino, F.,Zhou, Y.,Cai, M.,Carotenuto, A.,Yousif, A.M.,Brancaccio, D.,Di Maro, S.,Zappavigna, S.,Limatola, A.,Novellino, E.,Grieco, P.,Hruby, V.J.
Development of Macrocyclic Peptidomimetics Containing Constrained alpha , alpha-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors.
J. Med. Chem., 61:4263-4269, 2018
Cited by
PubMed Abstract: We report the development of macrocyclic melanocortin derivatives of MT-II and SHU-9119, achieved by modifying the cycle dimension and incorporating constrained amino acids in ring-closing. This study culminated in the discovery of novel agonists/antagonists with an unprecedented activity profile by adding pieces to the puzzle of the melanocortin receptor selectivity. Finally, the resulting 19- and 20-membered rings represent a suitable frame for the design of further therapeutic ligands as selective modulators of the melanocortin system.
PubMed: 29660981
DOI: 10.1021/acs.jmedchem.8b00488
PDB entries with the same primary citation
Experimental method
SOLUTION NMR
Structure validation

239803

数据于2025-08-06公开中

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