7LAG
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Summary for 7LAG
Entry DOI | 10.2210/pdb7lag/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, ... (9 entities in total) |
Functional Keywords | myeloperoxidase, mpo, oxidoreductase, heme-dependent peroxidase |
Biological source | Homo sapiens (Human) More |
Total number of polymer chains | 8 |
Total formula weight | 271310.93 |
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 Cited by PubMed: 33811992DOI: 10.1016/j.bmcl.2021.128010 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.85 Å) |
Structure validation
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