6QSX

Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol.

This is a non-PDB format compatible entry.

Summary for 6QSX

• Entry DOI: 10.2210/pdb6qsx/pdb
• Descriptor: Complement factor B, SULFATE ION, [(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol, ... (5 entities in total)
• Functional Keywords: complement, immune, inhibitor, c3 convertase, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 67319.85

Authors

Adams, C.M.,Sellner, H.,Ehara, T.,Mac Sweeney, A.,Crowley, M.,Anderson, K.,Karki, R.,Mainolfi, N.,Valeur, E.,Sirockin, F.,Gerhartz, B.,Erbel, P.,Hughes, N.,Smith, T.M.,Cumin, F.,Argikar, U.,Mogi, M.,Sedrani, R.,Wiesmann, C.,Jaffee, B.,Maibaum, J.,Flohr, S.,Harrison, R.,Eder, J. (deposition date: 2019-02-22, release date: 2019-03-27, Last modification date: 2024-01-24)

• Primary citation: Schubart, A.,Anderson, K.,Mainolfi, N.,Sellner, H.,Ehara, T.,Adams, C.M.,Mac Sweeney, A.,Liao, S.M.,Crowley, M.,Littlewood-Evans, A.,Sarret, S.,Wieczorek, G.,Perrot, L.,Dubost, V.,Flandre, T.,Zhang, Y.,Smith, R.J.H.,Risitano, A.M.,Karki, R.G.,Zhang, C.,Valeur, E.,Sirockin, F.,Gerhartz, B.,Erbel, P.,Hughes, N.,Smith, T.M.,Cumin, F.,Argikar, U.A.,Haraldsson, B.,Mogi, M.,Sedrani, R.,Wiesmann, C.,Jaffee, B.,Maibaum, J.,Flohr, S.,Harrison, R.,Eder, J.; Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.; Proc.Natl.Acad.Sci.USA, 116:7926-7931, 2019; PubMed: 30926668; DOI: 10.1073/pnas.1820892116

Experimental method

X-RAY DIFFRACTION (1.77 Å)