6S03

Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379

Summary for 6S03

• Entry DOI: 10.2210/pdb6s03/pdb
• Related: 6RZX
• Descriptor: Carbonic anhydrase 2, ZINC ION, 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, ... (4 entities in total)
• Functional Keywords: carbonic anhydrase, inhibitor, lyase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 29726.85

Authors

Kugler, M.,Brynda, J.,Rezacova, P. (deposition date: 2019-06-13, release date: 2020-06-03, Last modification date: 2024-01-24)

• Primary citation: Tykvart, J.,Navratil, V.,Kugler, M.,Sacha, P.,Schimer, J.,Hlavackova, A.,Tenora, L.,Zemanova, J.,Dejmek, M.,Kral, V.,Potacek, M.,Majer, P.,Jahn, U.,Brynda, J.,Rezacova, P.,Konvalinka, J.; Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).; SLAS Discov, 25:1026-1037, 2020; PubMed: 32452709; DOI: 10.1177/2472555220918836

Experimental method

X-RAY DIFFRACTION (1.38 Å)