9GHY

Cyclophilin A in complex with Sanglifehrin A analogue (2R,3S,7S,10S,E)-10-(3-aminopropyl)-2,7-dimethylspiro[3,8,11-triaza-1(2,7)-quinolina-5(3,1)-pyridazinacyclopentadecaphanene-13,5'-[1,3]dioxan]-14-ene-4,6,9,12-tetraone

This is a non-PDB format compatible entry.

Summary for 9GHY

• Entry DOI: 10.2210/pdb9ghy/pdb
• Descriptor: Peptidyl-prolyl cis-trans isomerase A, (2R,3S,7S,10S,E)-10-(3-aminopropyl)-2,7-dimethylspiro[3,8,11-triaza-1(2,7)-quinolina-5(3,1)-pyridazinacyclopentadecaphanene-13,5'-[1,3]dioxan]-14-ene-4,6,9,12-tetraone, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: cyclophilin a, sanglifehrin a, inhibitor, complex, isomerase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 18874.86

Authors

Meyners, C.,Dreizler, J.K.,Hausch, F. (deposition date: 2024-08-16, release date: 2024-11-06)

• Primary citation: Dreizler, J.K.,Meyners, C.,Hausch, F.; Toward Dual Targeting of Catalytic and Gatekeeper Pockets in Cyclophilins Using a Macrocyclic Scaffold; Acs Med.Chem.Lett., 2024; DOI: 10.1021/acsmedchemlett.4c00427

Experimental method

X-RAY DIFFRACTION (1.15 Å)