6TE7

The structure of CYP121 in complex with inhibitor S2

Summary for 6TE7

• Entry DOI: 10.2210/pdb6te7/pdb
• Descriptor: Mycocyclosin synthase, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, TRIETHYLENE GLYCOL, ... (6 entities in total)
• Functional Keywords: cyp121, complex, inhibitor, oxidoreductase
• Biological source: Mycobacterium tuberculosis
• Total number of polymer chains: 1
• Total formula weight: 44445.37

Authors

Adam, S.,Koehnke, J. (deposition date: 2019-11-11, release date: 2021-05-26, Last modification date: 2024-01-24)

• Primary citation: Walter, I.,Adam, S.,Gentilini, M.V.,Kany, A.M.,Brengel, C.,Thomann, A.,Sparwasser, T.,Kohnke, J.,Hartmann, R.W.; Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.; Chemmedchem, 16:2786-2801, 2021; PubMed: 34010508; DOI: 10.1002/cmdc.202100283

Experimental method

X-RAY DIFFRACTION (1.50001818022 Å)