4MOT

Structure of Streptococcus pneumonia pare in complex with AZ13072886

Summary for 4MOT

• Entry DOI: 10.2210/pdb4mot/pdb
• Related: 4EM7 4EMV 4MB9 4MBC
• Descriptor: Topoisomerase IV subunit B, 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea (3 entities in total)
• Functional Keywords: atp binding, structure-based drug design, antimicrobial, virtual screen, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• Biological source: Streptococcus pneumoniae
• Total number of polymer chains: 1
• Total formula weight: 24998.22

Authors

Ogg, D.,Boriack-Sjodin, P.A. (deposition date: 2013-09-12, release date: 2013-11-20, Last modification date: 2024-02-28)

• Primary citation: Kale, R.R.,Kale, M.G.,Waterson, D.,Raichurkar, A.,Hameed, S.P.,Manjunatha, M.R.,Kishore Reddy, B.K.,Malolanarasimhan, K.,Shinde, V.,Koushik, K.,Jena, L.K.,Menasinakai, S.,Humnabadkar, V.,Madhavapeddi, P.,Basavarajappa, H.,Sharma, S.,Nandishaiah, R.,Mahesh Kumar, K.N.,Ganguly, S.,Ahuja, V.,Gaonkar, S.,Naveen Kumar, C.N.,Ogg, D.,Boriack-Sjodin, P.A.,Sambandamurthy, V.K.,de Sousa, S.M.,Ghorpade, S.R.; Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.; Bioorg.Med.Chem.Lett., 24:870-879, 2014; PubMed: 24405701; DOI: 10.1016/j.bmcl.2013.12.080

Experimental method

X-RAY DIFFRACTION (1.75 Å)