7PUW

Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4-[(2-phenylethyl)sulfanyl]-5-sulfamoylbenzoate

Summary for 7PUW

Entry DOI	10.2210/pdb7puw/pdb
Related	7PUU 7PUV
Descriptor	Carbonic anhydrase 12, ZINC ION, methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate, ... (5 entities in total)
Functional Keywords	drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, lyase-lyase inhibitor complex, lyase
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	121722.72
Authors	Smirnov, A.,Manakova, E.,Grazulis, S. (deposition date: 2021-09-30, release date: 2022-01-12, Last modification date: 2024-01-31)
Primary citation	Zaksauskas, A.,Capkauskaite, E.,Paketuryte-Latve, V.,Smirnov, A.,Leitans, J.,Kazaks, A.,Dvinskis, E.,Stancaitis, L.,Mickeviciute, A.,Jachno, J.,Jezepcikas, L.,Linkuviene, V.,Sakalauskas, A.,Manakova, E.,Grazulis, S.,Matuliene, J.,Tars, K.,Matulis, D. Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23:-, 2021 Cited by PubMed: 35008553 DOI: 10.3390/ijms23010130 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.42 Å)

Structure validation