7UP2

NDM1-inhibitor co-structure

Summary for 7UP2

Entry DOI	10.2210/pdb7up2/pdb
Descriptor	Beta-lactamase VIM-1, ZINC ION, (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, ... (4 entities in total)
Functional Keywords	metallo-beta-lactamase inhibitor, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Pseudomonas aeruginosa
Total number of polymer chains	1
Total formula weight	26455.97
Authors	Scapin, G.,Fischmann, T.O. (deposition date: 2022-04-14, release date: 2023-03-08, Last modification date: 2023-10-25)
Primary citation	Mandal, M.,Xiao, L.,Pan, W.,Scapin, G.,Li, G.,Tang, H.,Yang, S.W.,Pan, J.,Root, Y.,de Jesus, R.K.,Yang, C.,Prosise, W.,Dayananth, P.,Mirza, A.,Therien, A.G.,Young, K.,Flattery, A.,Garlisi, C.,Zhang, R.,Chu, D.,Sheth, P.,Chu, I.,Wu, J.,Markgraf, C.,Kim, H.Y.,Painter, R.,Mayhood, T.W.,DiNunzio, E.,Wyss, D.F.,Buevich, A.V.,Fischmann, T.,Pasternak, A.,Dong, S.,Hicks, J.D.,Villafania, A.,Liang, L.,Murgolo, N.,Black, T.,Hagmann, W.K.,Tata, J.,Parmee, E.R.,Weber, A.E.,Su, J.,Tang, H. Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65:16234-16251, 2022 Cited by PubMed: 36475645 DOI: 10.1021/acs.jmedchem.2c00766 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.13 Å)

Structure validation