5MMO

E. coli DNA Gyrase B 24 kDa ATPase domain in complex with [3-(3-ethyl-ureido)-5-(pyridin-4-yl)-isoquinolin-8-yl-methyl]-carbamic acid prop-2-ynyl ester

Summary for 5MMO

Entry DOI	10.2210/pdb5mmo/pdb
Descriptor	DNA gyrase subunit B, prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate, PHOSPHATE ION, ... (4 entities in total)
Functional Keywords	inhibitor, 009, isomerase
Biological source	Escherichia coli O157:H7
Cellular location	Cytoplasm : P0AES7
Total number of polymer chains	1
Total formula weight	26374.44
Authors	Panchaud, P.,Bruyere, T.,Blumstein, A.-C.,Bur, D.,Chambovey, A.,Ertel, E.A.,Gude, M.,Hubschwerlen, C.,Jacob, L.,Kimmerlin, T.,Pfeifer, T.,Prade, L.,Seiler, P.,Ritz, D.,Rueedi, G. (deposition date: 2016-12-12, release date: 2017-04-26, Last modification date: 2017-05-24)
Primary citation	Panchaud, P.,Bruyere, T.,Blumstein, A.C.,Bur, D.,Chambovey, A.,Ertel, E.A.,Gude, M.,Hubschwerlen, C.,Jacob, L.,Kimmerlin, T.,Pfeifer, T.,Prade, L.,Seiler, P.,Ritz, D.,Rueedi, G. Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60:3755-3775, 2017 Cited by PubMed: 28406299 DOI: 10.1021/acs.jmedchem.6b01834 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.81 Å)

Structure validation