7S18

Crystal structure of cruzain with gallinamide analog from 2-biaryl series

Summary for 7S18

Entry DOI	10.2210/pdb7s18/pdb
Related PRD ID	PRD_002486
Descriptor	Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide (3 entities in total)
Functional Keywords	cysteine protease, cruzain, gallinamide, hydrolase
Biological source	Trypanosoma cruzi
Total number of polymer chains	1
Total formula weight	23537.22
Authors	Sharma, V.,Podust, L.M. (deposition date: 2021-09-01, release date: 2022-03-02, Last modification date: 2023-10-18)
Primary citation	Barbosa Da Silva, E.,Sharma, V.,Hernandez-Alvarez, L.,Tang, A.H.,Stoye, A.,O'Donoghue, A.J.,Gerwick, W.H.,Payne, R.J.,McKerrow, J.H.,Podust, L.M. Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi . J.Med.Chem., 65:4255-4269, 2022 Cited by PubMed: 35188371 DOI: 10.1021/acs.jmedchem.1c02063 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.14 Å)

Structure validation