7JXT

Ovine COX-1 in complex with the subtype-selective derivative 2a

Summary for 7JXT

Entry DOI	10.2210/pdb7jxt/pdb
Descriptor	Prostaglandin G/H synthase 1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... (4 entities in total)
Functional Keywords	cyclooxygenase-1, oxidoreductase inhibitor, oxidoreductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
Biological source	Ovis aries (Sheep)
Total number of polymer chains	2
Total formula weight	132390.55
Authors	Ko, Y.,Iaselli, M.,Miciaccia, M.,Friedrich, L.,Schneider, G.,Scilimati, A.,Cingolani, G. (deposition date: 2020-08-27, release date: 2021-09-01, Last modification date: 2023-10-18)
Primary citation	Friedrich, L.,Cingolani, G.,Ko, Y.H.,Iaselli, M.,Miciaccia, M.,Perrone, M.G.,Neukirch, K.,Bobinger, V.,Merk, D.,Hofstetter, R.K.,Werz, O.,Koeberle, A.,Scilimati, A.,Schneider, G. Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design. Adv Sci, 8:e2100832-e2100832, 2021 Cited by PubMed: 34176236 DOI: 10.1002/advs.202100832 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.35 Å)

Structure validation