7UP1

NDM1-inhibitor co-structure

Summary for 7UP1

• Entry DOI: 10.2210/pdb7up1/pdb
• Descriptor: Metallo beta-lactamase, ZINC ION, CADMIUM ION, ... (5 entities in total)
• Functional Keywords: metallo-beta-lactamase inhibitor, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Klebsiella pneumoniae
• Total number of polymer chains: 2
• Total formula weight: 53818.72

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; PubMed: 36475645; DOI: 10.1021/acs.jmedchem.2c00766

Experimental method

X-RAY DIFFRACTION (1.11 Å)