8RCX

Crystal structure of the Mycobacterium tuberculosis regulator VirS (N-terminal fragment 4-208) in complex with the drug candidate alpibectir

Summary for 8RCX

• Entry DOI: 10.2210/pdb8rcx/pdb
• Descriptor: HTH-type transcriptional regulator VirS, 4,4,4-tris(fluoranyl)-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one (3 entities in total)
• Functional Keywords: arac family, transcription, tuberculosis, dna binding protein, in situ proteolysis
• Biological source: Mycobacterium tuberculosis H37Rv
• Total number of polymer chains: 2
• Total formula weight: 89811.04

Authors

Edoo, Z.,Frita, R.,Grosse, C.,Bourotte, M.,Moune, M.,Antoine, R.,Trebosc, V.,Schellhorn, B.,Dreneau, A.,Hofmann, L.,Kemmer, C.,Lociuro, S.,Dale, G.E.,Jung, F.,Perez-Herran, E.,Mendoza, A.,Rebollo Lopez, M.J.,Ghidelli-Disse, S.,Drewes, G.,Mathys, V.,Soetaert, K.,Megalizzi, V.,Wintjens, R.,Barros Aguirre, D.,Remuinan, M.D.,Gitzinger, M.,Deprez, B.,Willand, N.,Pieren, M.,Baulard, A.R. (deposition date: 2023-12-07, release date: 2025-10-29)

• Primary citation: Edoo, Z.,Frita, R.,Grosse, C.,Bourotte, M.,Moune, M.,Antoine, R.,Trebosc, V.,Schellhorn, B.,Dreneau, A.,Hofmann, L.,Kemmer, C.,Lociuro, S.,Dale, G.E.,Jung, F.,Perez-Herran, E.,Mendoza, A.,Rebollo Lopez, M.J.,Ghidelli-Disse, S.,Drewes, G.,Mathys, V.,Soetaert, K.,Megalizzi, V.,Wintjens, R.,Barros Aguirre, D.,Remuinan, M.D.,Gitzinger, M.,Deprez, B.,Willand, N.,Pieren, M.,Baulard, A.R.; Clinical candidate alpibectir rejuvenates ethionamide for treating tuberculosis; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.494 Å)