7LAN

CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine

Summary for 7LAN

• Entry DOI: 10.2210/pdb7lan/pdb
• Descriptor: Myeloperoxidase light chain, Isoform H14 of Myeloperoxidase, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (10 entities in total)
• Functional Keywords: myeloperoxidase, oxidoreductase
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 8
• Total formula weight: 272228.11

Authors

Khan, J.A. (deposition date: 2021-01-06, release date: 2021-04-21, Last modification date: 2023-10-18)

• Primary citation: Hu, C.H.,Neissel Valente, M.W.,Halpern, O.S.,Jusuf, S.,Khan, J.A.,Locke, G.A.,Duke, G.J.,Liu, X.,Duclos, F.J.,Wexler, R.R.,Kick, E.K.,Smallheer, J.M.; Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).; Bioorg.Med.Chem.Lett., 42:128010-128010, 2021; PubMed: 33811992; DOI: 10.1016/j.bmcl.2021.128010

Experimental method

X-RAY DIFFRACTION (2.28 Å)