8BJX
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8bjx by Molmil](/molmil-images/mine/8bjx) | |
7SUW
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7suw by Molmil](/molmil-images/mine/7suw) | |
7SV1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7sv1 by Molmil](/molmil-images/mine/7sv1) | |
7SV8
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7sv8 by Molmil](/molmil-images/mine/7sv8) | |
8BOE
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8boe by Molmil](/molmil-images/mine/8boe) | |
8CR0
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8cr0 by Molmil](/molmil-images/mine/8cr0) | Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor | Descriptor: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2023-03-07 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | 6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography. J.Med.Chem., 66, 2023
|
|
4Y0J
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4y0j by Molmil](/molmil-images/mine/4y0j) | |
8CA2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8ca2 by Molmil](/molmil-images/mine/8ca2) | |
4XFW
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4xfw by Molmil](/molmil-images/mine/4xfw) | Crystal structure of the monoclinic form of alpha-carbonic anhydrase from the human pathogen Helicobacter pylori | Descriptor: | ACETIC ACID, Alpha-carbonic anhydrase, CHLORIDE ION, ... | Authors: | Compostella, M.E, Vallese, F, Berto, P, Zanotti, G. | Deposit date: | 2014-12-29 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.517 Å) | Cite: | Structure of alpha-carbonic anhydrase from the human pathogen Helicobacter pylori. Acta Crystallogr.,Sect.F, 71, 2015
|
|
4XE1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4xe1 by Molmil](/molmil-images/mine/4xe1) | Human carbonic anhydrase II in complex with 6-SULFAMOYL-SACCHARIN | Descriptor: | 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... | Authors: | Alterio, V, De Simone, G. | Deposit date: | 2014-12-21 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor. Org.Biomol.Chem., 13, 2015
|
|
8C0Q
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8c0q by Molmil](/molmil-images/mine/8c0q) | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | Descriptor: | (4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2022-12-19 | Release date: | 2023-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors. Biology (Basel), 12, 2023
|
|
8C0R
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8c0r by Molmil](/molmil-images/mine/8c0r) | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | Descriptor: | Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2022-12-19 | Release date: | 2023-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors. Biology (Basel), 12, 2023
|
|
5Y2R
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5y2r by Molmil](/molmil-images/mine/5y2r) | 2.5 atm CO2-pressurized human carbonic anhydrase II | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Park, S.Y. | Deposit date: | 2017-07-27 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Active-site solvent replenishment observed during human carbonic anhydrase II catalysis. IUCrJ, 5, 2018
|
|
7ZL5
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7zl5 by Molmil](/molmil-images/mine/7zl5) | Azosemide in complex with Carbonic Anhydrase I | Descriptor: | Azosemide, Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2022-04-14 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.479 Å) | Cite: | Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor J.Mol.Struct., 1268, 2022
|
|
7ZL6
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7zl6 by Molmil](/molmil-images/mine/7zl6) | |
7ZWB
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7zwb by Molmil](/molmil-images/mine/7zwb) | human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide | Descriptor: | 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2022-05-19 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | First-in-Class Dual Targeting Compounds for the Management of Seizures in Glucose Transporter Type 1 Deficiency Syndrome. J.Med.Chem., 66, 2023
|
|
5Y2S
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5y2s by Molmil](/molmil-images/mine/5y2s) | 7.0 atm CO2-pressurized human carbonic anhydrase II | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Park, S.Y. | Deposit date: | 2017-07-27 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Active-site solvent replenishment observed during human carbonic anhydrase II catalysis. IUCrJ, 5, 2018
|
|
8B29
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8b29 by Molmil](/molmil-images/mine/8b29) | Human carbonic anhydrase II containing 6-fluorotryptophanes. | Descriptor: | Carbonic anhydrase 2, ZINC ION | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | Deposit date: | 2022-09-13 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Direct Expression of Fluorinated Proteins in Human Cells for 19 F In-Cell NMR Spectroscopy. J.Am.Chem.Soc., 145, 2023
|
|
5YUK
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5yuk by Molmil](/molmil-images/mine/5yuk) | |
8AAE
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8aae by Molmil](/molmil-images/mine/8aae) | CAII in complex with para-carboran-propylsulfonamid | Descriptor: | Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION | Authors: | Brynda, J, Rezacova, P. | Deposit date: | 2022-07-01 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | B-H⋯ pi and C-H⋯ pi interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Phys Chem Chem Phys, 25, 2023
|
|
8AA6
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8aa6 by Molmil](/molmil-images/mine/8aa6) | CAII in complex with meta-carboran-propylsulfonamid | Descriptor: | Carbonic anhydrase 2, ZINC ION, meta-carboran-propylsulfonamid | Authors: | Brynda, J, Rezacova, P, Kugler, M. | Deposit date: | 2022-06-30 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | B-H⋯ pi and C-H⋯ pi interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Phys Chem Chem Phys, 25, 2023
|
|
7U5W
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7u5w by Molmil](/molmil-images/mine/7u5w) | |
7U5X
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7u5x by Molmil](/molmil-images/mine/7u5x) | |
5YUI
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5yui by Molmil](/molmil-images/mine/5yui) | CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Park, S.Y, McKenna, R. | Deposit date: | 2017-11-22 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
5YUJ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5yuj by Molmil](/molmil-images/mine/5yuj) | |