ArticleActa crystallographica. Section D, Biological crystallography2010
Atomic resolution studies of carbonic anhydrase II.
Article in Acta crystallographica. Section D, Biological crystallography, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 37 papers.
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Who cites it
37 citing papers in PubMed.
- Are QM/MM models systematically improvable? A case study on carbonic anhydrase binding affinities.Journal of computer-aided molecular design · 2026Article
- Click Chemistry-Enabled Parallel Synthesis ofMolecules (Basel, Switzerland) · 2026Article
- Investigation onPharmaceuticals (Basel, Switzerland) · 2026Article
- Coordination Geometry Tuning in a Single-Atom Nanozyme to Mimic Metalloenzymes with Nonplanar Active Site.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
- Assembled peptoid crystalline nanomaterials as carbonic anhydrase mimics for promoted hydration and sequestration of CONature communications · 2025Article
- Novel 3-Sulfonamide Dual-Tail Pyrrol-2-one Bridged Molecules as Potent Human Carbonic Anhydrase Isoform Inhibitors: Design, Synthesis, Molecular Modeling Investigation, and Anticancer Activity in MeWo, SK-BR-3, and MG-63 Cell Lines.Journal of medicinal chemistry · 2025Article
- Comparative Analysis of Carbonic Anhydrase-II Expression Across Undescended Testes Sprague Dawley Model with Coenzyme Q10 Treatment.Acta informatica medica : AIM : journal of the Society for Medical Informatics of Bosnia & Herzegovina : casopis Drustva za medicinsku informatiku BiH · 2025Article
- Synthesis, carbonic anhydrase inhibition studies and modelling investigations of phthalimide-hydantoin hybrids.Journal of enzyme inhibition and medicinal chemistry · 2024Article
- In Vitro and Randomized Controlled Clinical Study of Natural Constituents' Anti-HPV Potential for Treatment of Plantar Warts Supported with In Silico Studies and Network Analysis.Pharmaceuticals (Basel, Switzerland) · 2024Article
- Benzothiadiazinone-1,1-Dioxide Carbonic Anhydrase Inhibitors Suppress the Growth of Drug-ResistantInternational journal of molecular sciences · 2024Article
- Synthetic Approaches to Novel Human Carbonic Anhydrase Isoform Inhibitors Based on Pyrrol-2-one Moiety.Journal of medicinal chemistry · 2024Article
- Evaluation of Human Carbonic Anhydrase II (CA-II) Concentration Using ELISA: Insights into Optical Density's Role in Biomarker Quantification for Cryptorchidism Research.Acta informatica medica : AIM : journal of the Society for Medical Informatics of Bosnia & Herzegovina : casopis Drustva za medicinsku informatiku BiH · 2024Article
- Benzenesulfonamide derivatives asJournal of enzyme inhibition and medicinal chemistry · 2023Article
- Discovery of the first-in-class potent and isoform-selective human carbonic anhydrase III inhibitors.Journal of enzyme inhibition and medicinal chemistry · 2023Article
- Identification of new 4-(6-oxopyridazin-1-yl)benzenesulfonamides as multi-target anti-inflammatory agents targeting carbonic anhydrase, COX-2 and 5-LOX enzymes: synthesis, biological evaluations and modelling insights.Journal of enzyme inhibition and medicinal chemistry · 2023Article
- Selenium-analogs based on natural sources as cancer-associated carbonic anhydrase isoforms IX and XII inhibitors.Journal of enzyme inhibition and medicinal chemistry · 2023Article
- Inhibition Profiles of Some Novel Sulfonamide-Incorporated α-Aminophosphonates on Human Carbonic Anhydrases.ACS medicinal chemistry letters · 2023Article
- Discovery of Novel Hydroxyimine-Tethered Benzenesulfonamides as Potential Human Carbonic Anhydrase IX/XII Inhibitors.ACS medicinal chemistry letters · 2023Article
- Inhibition Studies on Human and Mycobacterial Carbonic Anhydrases withMolecules (Basel, Switzerland) · 2023Article
- MM/GBSA prediction of relative binding affinities of carbonic anhydrase inhibitors: effect of atomic charges and comparison with Autodock4Journal of computer-aided molecular design · 2023Article
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7 authors.
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Abstract
Carbonic anhydrase has been well studied structurally and functionally owing to its importance in respiration. A large number of X-ray crystallographic structures of carbonic anhydrase and its inhibitor complexes have been determined, some at atomic resolution. Structure determination of a sulfonamide-containing inhibitor complex has been carried out and the structure was refined at 0.9 A resolution with anisotropic atomic displacement parameters to an R value of 0.141. The structure is similar to those of other carbonic anhydrase complexes, with the inhibitor providing a fourth nonprotein ligand to the active-site zinc. Comparison of this structure with 13 other atomic resolution (higher than 1.25 A) isomorphous carbonic anhydrase structures provides a view of the structural similarity and variability in a series of crystal structures. At the center of the protein the structures superpose very well. The metal complexes superpose (with only two exceptions) with standard deviations of 0.01 A in some zinc-protein and zinc-ligand bond lengths. In contrast, regions of structural variability are found on the protein surface, possibly owing to flexibility and disorder in the individual structures, differences in the chemical and crystalline environments or the different approaches used by different investigators to model weak or complicated electron-density maps. These findings suggest that care must be taken in interpreting structural details on protein surfaces on the basis of individual X-ray structures, even if atomic resolution data are available.
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