7NI1

CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 9

Summary for 7NI1

Entry DOI	10.2210/pdb7ni1/pdb
Descriptor	Myeloperoxidase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... (10 entities in total)
Functional Keywords	oxidoreductase, complex, inhibitor
Biological source	Homo sapiens (Human) More
Total number of polymer chains	4
Total formula weight	135738.21
Authors	Sjogren, T.,Inghardt, T. (deposition date: 2021-02-11, release date: 2022-02-23, Last modification date: 2024-01-31)
Primary citation	Inghardt, T.,Antonsson, T.,Ericsson, C.,Hovdal, D.,Johannesson, P.,Johansson, C.,Jurva, U.,Kajanus, J.,Kull, B.,Michaelsson, E.,Pettersen, A.,Sjogren, T.,Sorensen, H.,Westerlund, K.,Lindstedt, E.L. Discovery of AZD4831, a Mechanism-Based Irreversible Inhibitor of Myeloperoxidase, As a Potential Treatment for Heart Failure with Preserved Ejection Fraction. J.Med.Chem., 65:11485-11496, 2022 Cited by PubMed: 36005476 DOI: 10.1021/acs.jmedchem.1c02141 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.11 Å)

Structure validation