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4BF1
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BU of 4bf1 by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
Descriptor: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, SODIUM ION, ...
Authors:Tars, K, Leitans, J, Zalubovskis, R.
Deposit date:2013-03-13
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
4BF6
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BU of 4bf6 by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Tars, K, Leitans, J, Zalubovskis, R.
Deposit date:2013-03-15
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
5AMD
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BU of 5amd by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-((2-Phenylethyl)sulfamoyl)-4-sulfamoylbenzoic acid
Descriptor: 2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-03-10
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5AML
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BU of 5aml by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
Descriptor: 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-03-10
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5AMG
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BU of 5amg by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(Pentylsulfamoyl)-4-sulfamoylbenzoic acid
Descriptor: 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-03-10
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5FL6
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BU of 5fl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methylphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE IX, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5FL4
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BU of 5fl4 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
Descriptor: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE 9, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5FL5
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BU of 5fl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
4XE1
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BU of 4xe1 by Molmil
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
5MJN
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BU of 5mjn by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-[(4Chlorobenzyl)sulfanyl]thiophene-2-sulfonamide
Descriptor: 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2016-12-01
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:5-Substituted-benzylsulfanyl-thiophene-2-sulfonamides with effective carbonic anhydrase inhibitory activity: Solution and crystallographic investigations.
Bioorg. Med. Chem., 25, 2017
4PQ7
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BU of 4pq7 by Molmil
The crystal structure of the human carbonic anhydrase ii in complex with a sulfamide inhibitor
Descriptor: 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2014-02-28
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydrophobic substituents of the phenylmethylsulfamide moiety can be used for the development of new selective carbonic anhydrase inhibitors.
Biomed Res Int, 2014, 2014
8CO0
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BU of 8co0 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-02-25
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
8CO3
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BU of 8co3 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
Descriptor: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 12, ZINC ION
Authors:Leitans, J, Dvinskis, E, Tars, K.
Deposit date:2023-02-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
8Q18
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BU of 8q18 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q1A
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BU of 8q1a by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor
Descriptor: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q19
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BU of 8q19 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
4BCW
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BU of 4bcw by Molmil
Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid
Descriptor: (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2012-10-03
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sulfocoumarins (1,2-Benzoxathiine-2,2-Dioxides): A Class of Potent and Isoform-Selective Inhibitors of Tumor-Associated Carbonic Anhydrases.
J.Med.Chem., 56, 2013
8P9E
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BU of 8p9e by Molmil
Crystal structure of wild type p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11
Descriptor: Darpin 1810 F11, GLYCEROL, Isoform 2 of Tumor protein 63, ...
Authors:Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-06-05
Release date:2023-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023

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