9CSI

A. baumannii MsbA Bound to Cerastecin Compound 5

This is a non-PDB format compatible entry.

Summary for 9CSI

• Entry DOI: 10.2210/pdb9csi/pdb
• Descriptor: Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, MONOVACCENIN, ... (6 entities in total)
• Functional Keywords: msba, antibacterial, inhibitor, cerastecin, antibiotic
• Biological source: Acinetobacter baumannii
• Total number of polymer chains: 1
• Total formula weight: 68559.51

Authors

Klein, D.J.,Ishchenko, A.,Soisson, S.,Cheng, R.,Hennig, M. (deposition date: 2024-07-23, release date: 2024-09-04)

• Primary citation: Skudlarek, J.W.,Cooke, A.J.,Mitchell, H.J.,Babaoglu, K.,Shaw, A.W.,Tong, L.,Nomland, A.B.,Labroli, M.,Sha, D.,Mulhearn, J.J.,Wu, C.,Li, S.W.,Beshore, D.C.,Hughes, J.M.E.,Jouffroy, M.,Wang, H.,Balibar, C.J.,Painter, R.E.,Shen, P.,Lange, H.S.,Ishchenko, A.,Chen, Y.T.,Klein, D.J.,Tracy, R.W.,Miller, R.R.,Cabalu, T.D.,Wu, Z.,Leithead, A.,Scapin, G.,Hruza, A.W.,Dzhekieva, L.,Bukhtiyarova, M.,Homsher, M.F.,Xu, M.,Bahnck-Teets, C.,McKenney, D.,Buevich, A.V.,Liu, J.,Zhang, L.K.,Meng, T.,Kelly, T.,DiNunzio, E.,Soisson, S.,Cheng, R.K.Y.,Hennig, M.,Raheem, I.,Walker, S.S.; Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.; J.Med.Chem., 2024; PubMed: 39172133; DOI: 10.1021/acs.jmedchem.4c01277

Experimental method

X-RAY DIFFRACTION (2.8 Å)