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PDB: 1335 results
3V3H
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BU of 3v3h by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
Descriptor: CHLORIDE ION, Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Fisher, S.Z, McKenna, R.
Deposit date:2011-12-13
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
6NJ6
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BU of 6nj6 by Molmil
Thermostable variant of human carbonic anhydrase with tetrazine 2.0 at site 186 reacted with sTCO in crystallo
Descriptor: Carbonic anhydrase 2, GLYCEROL, METHANOL, ...
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
7K6X
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BU of 7k6x by Molmil
Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6I
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BU of 7k6i by Molmil
Carbonic Anhydrase II complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-20
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7JO1
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BU of 7jo1 by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide, ...
Authors:Andring, J.T, McKenna, R.
Deposit date:2020-08-05
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7JOB
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BU of 7job by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, ...
Authors:Andring, J.T, McKenna, R.
Deposit date:2020-08-06
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.381 Å)
Cite:Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7K6K
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BU of 7k6k by Molmil
Carbonic Anhydrase II complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-20
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.306 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
6NJ4
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BU of 6nj4 by Molmil
Thermostable variant of human carbonic anhydrase with disordered tetrazine 2.0 reacted with strained trans-cyclooctene at site 233
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
3U47
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BU of 3u47 by Molmil
Human Carbonic Anhydrase II V143L
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:West, D, Mckenna, R.
Deposit date:2011-10-07
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural modification of the hydrophobic pocket of Human Carbonic Anhydrase II
To be Published
6NJ5
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BU of 6nj5 by Molmil
Thermostable variant of human carbonic anhydrase II with disordered tetrazine 2.0 at site 233
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
6NJ2
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BU of 6nj2 by Molmil
thermostable carbonic anhydrase II variant with tetrazine 2.0 at site 186
Descriptor: Carbonic anhydrase 2, GLYCEROL, SULFATE ION, ...
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
7K6T
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BU of 7k6t by Molmil
Carbonic Anhydrase IX mimic complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6J
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BU of 7k6j by Molmil
Carbonic Anhydrase II complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-20
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
6NJ3
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BU of 6nj3 by Molmil
Thermostable variant of human carbonic anhydrase with ordered tetrazine 2.0 at site 233
Descriptor: ACETATE ION, Carbonic anhydrase 2, ZINC ION
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
7K6U
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BU of 7k6u by Molmil
Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.605 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6L
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BU of 7k6l by Molmil
Carbonic Anhydrase II complexed with 4-(2-(3-(4-fluorophenyl)ureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
6NM0
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BU of 6nm0 by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
Descriptor: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Singh, S, McKenna, R.
Deposit date:2019-01-10
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
6NLV
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BU of 6nlv by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
Descriptor: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Singh, S, McKenna, R.
Deposit date:2019-01-09
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
7K6Z
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BU of 7k6z by Molmil
Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-fluorophenyl)ureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.657 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
4HEY
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BU of 4hey by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: 4-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
3U45
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BU of 3u45 by Molmil
Human Carbonic Anhydrase II V143A
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:West, D, Mckenna, R.
Deposit date:2011-10-07
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structural Modification of the hydrophobic pocket in Human Carbonic Anhydrase II
To be Published
4HF3
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BU of 4hf3 by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: Carbonic anhydrase 2, IMIDAZOLE, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.1476 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
3ZNC
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BU of 3znc by Molmil
MURINE CARBONIC ANHYDRASE IV COMPLEXED WITH BRINZOLAMIDE
Descriptor: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE IV, ZINC ION
Authors:Stams, T, Chen, Y, Christianson, D.W.
Deposit date:1998-02-10
Release date:1999-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
3V2M
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BU of 3v2m by Molmil
Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Aggarwal, M, McKenna, A.
Deposit date:2011-12-12
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.471 Å)
Cite:Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
To be Published
3UYN
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BU of 3uyn by Molmil
HCA 3
Descriptor: Carbonic anhydrase 3, ZINC ION
Authors:Fisher, Z, McKenna, R.
Deposit date:2011-12-06
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007

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