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PDB: 1335 results
5OHH
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BU of 5ohh by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2017-07-17
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To be published
5O07
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BU of 5o07 by Molmil
The crystal structure of the human carbonic anhydrase II in complex with a nitroimidazole sulfamate inhibitor
Descriptor: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl sulfamate, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2017-05-16
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations.
J Enzyme Inhib Med Chem, 32, 2017
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
5N1R
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BU of 5n1r by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4'-Pyrazol-1-ylmethyl-biphenyl-4-sulfonamide
Descriptor: 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F.
Deposit date:2017-02-06
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms
Inorg.Chim.Acta., 470, 2018
5OGN
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BU of 5ogn by Molmil
Metalacarborane inhibitors of Carbonic Anhydrase IX
Descriptor: Carbonic anhydrase 2, ZINC ION, cobaltcarborane
Authors:Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V.
Deposit date:2017-07-13
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
J.Med.Chem., 2019
5MSB
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BU of 5msb by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2017-01-02
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
5NEA
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BU of 5nea by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(2-methyl-1,3-oxazol-5-yl)benzene-1-sulfonammide
Descriptor: 1,2-ETHANEDIOL, 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Ferraroni, M, Supuran, C.T, Krasavin, M.
Deposit date:2017-03-10
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads.
Bioorg. Med. Chem., 25, 2017
5M78
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BU of 5m78 by Molmil
Human Carbonic Anhydrase II in complex with fragment-like inhibitor.
Descriptor: 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2016-10-27
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.077 Å)
Cite:A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
5OGP
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BU of 5ogp by Molmil
Metalacarborane inhibitors of Carbonic Anhydrase IX
Descriptor: Carbonic anhydrase 2, ZINC ION, cobaltcarborane
Authors:Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V.
Deposit date:2017-07-13
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
J.Med.Chem., 2019
5OGO
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BU of 5ogo by Molmil
Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2017-07-13
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
To be published
5OGJ
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BU of 5ogj by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2017-07-13
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To be published
5N24
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BU of 5n24 by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor b4'-Cyano-biphenyl-4-sulfonic acid amide
Descriptor: 4-(4-cyanophenyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F.
Deposit date:2017-02-07
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms
Inorg.Chim.Acta., 470, 2018
1RZC
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BU of 1rzc by Molmil
X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES
Descriptor: CARBONIC ANHYDRASE II, COPPER (II) ION, OXYGEN MOLECULE
Authors:Hakansson, K, Wehnert, A, Liljas, A.
Deposit date:1993-05-25
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
1TB0
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BU of 1tb0 by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
Descriptor: CHLORIDE ION, Carbonic anhydrase II, ZINC ION
Authors:Fisher, Z, Hernandez Prada, J.A, Tu, C, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
Deposit date:2004-05-19
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and kinetic characterization of active-site histidine as a proton shuttle in catalysis by human carbonic anhydrase II.
Biochemistry, 44, 2005
1TEU
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BU of 1teu by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase II, ZINC ION
Authors:Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
Deposit date:2004-05-25
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
1T9N
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BU of 1t9n by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase II, SULFATE ION, ZINC ION
Authors:Fisher, Z, Hernandez Prada, J, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
Deposit date:2004-05-18
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
1RZE
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BU of 1rze by Molmil
X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES
Descriptor: CARBONIC ANHYDRASE II, NICKEL (II) ION, SULFATE ION
Authors:Hakansson, K, Wehnert, A, Liljas, A.
Deposit date:1993-05-25
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
1RJ5
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BU of 1rj5 by Molmil
Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase XIV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ...
Authors:Whittington, D.A, Grubb, J.H, Waheed, A, Shah, G.N, Sly, W.S, Christianson, D.W.
Deposit date:2003-11-18
Release date:2004-03-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Expression, assay, and structure of the extracellular domain of murine carbonic anhydrase XIV: implications for selective inhibition of membrane-associated isozymes.
J.Biol.Chem., 279, 2004
1RAZ
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BU of 1raz by Molmil
THE STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BROMIDE AND AZIDE
Descriptor: BROMIDE ION, CARBONIC ANHYDRASE II, ZINC ION
Authors:Jonsson, B.M, Hakansson, K, Liljas, A.
Deposit date:1993-04-02
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of human carbonic anhydrase II in complex with bromide and azide.
FEBS Lett., 322, 1993
1RZA
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BU of 1rza by Molmil
X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES
Descriptor: CARBONIC ANHYDRASE II, COBALT (II) ION, OXYGEN MOLECULE
Authors:Hakansson, K, Wehnert, A, Liljas, A.
Deposit date:1993-05-25
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
1RZD
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BU of 1rzd by Molmil
X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES
Descriptor: CARBONIC ANHYDRASE II, MANGANESE (II) ION, SULFATE ION
Authors:Hakansson, K, Wehnert, A, Liljas, A.
Deposit date:1993-05-25
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
1RZB
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BU of 1rzb by Molmil
X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES
Descriptor: CARBONIC ANHYDRASE II, COBALT (II) ION, SULFATE ION
Authors:Hakansson, K, Wehnert, A, Liljas, A.
Deposit date:1993-05-25
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
1UGD
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BU of 1ugd by Molmil
HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY SER (A65S)
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Scolnick, L.R, Christianson, D.W.
Deposit date:1996-07-24
Release date:1997-01-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis.
Biochemistry, 35, 1996
1UGB
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BU of 1ugb by Molmil
HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY GLY (A65G)
Descriptor: AZIDE ION, CARBONIC ANHYDRASE II, ZINC ION
Authors:Scolnick, L.R, Christianson, D.W.
Deposit date:1996-07-24
Release date:1997-01-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis.
Biochemistry, 35, 1996
1THK
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BU of 1thk by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase II, ZINC ION
Authors:Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
Deposit date:2004-06-01
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005

223532

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