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4E3H
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BU of 4e3h by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION, ...
Authors:Cohen, S.M, Martin, D.P.
Deposit date:2012-03-09
Release date:2012-06-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
4E49
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BU of 4e49 by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, RESORCINOL, ...
Authors:Cohen, S.M, Martin, D.P.
Deposit date:2012-03-12
Release date:2012-06-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
2A8C
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BU of 2a8c by Molmil
Haemophilus influenzae beta-carbonic anhydrase
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION
Authors:Cronk, J.D, Rowlett, R.S, Zhang, K.Y.J, Tu, C, Endrizzi, J.A, Lee, J, Gareiss, P.C, Preiss, J.R.
Deposit date:2005-07-07
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase
Biochemistry, 45, 2006
5TV3
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BU of 5tv3 by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with (E)-5-(((4-(tert-butyl)phenyl)sulfonyl)imino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide
Descriptor: (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2016-11-07
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
5TT8
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BU of 5tt8 by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with benzolamide
Descriptor: 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2016-11-02
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
5TT3
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BU of 5tt3 by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with ethoxzolamide
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2016-11-01
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
5TUO
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BU of 5tuo by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.
Descriptor: 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2016-11-06
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
3E28
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BU of 3e28 by Molmil
H. influenzae beta-carbonic anhydrase, variant Y181F
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION
Authors:Rowlett, R.S, Lee, J.
Deposit date:2008-08-05
Release date:2009-06-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric site variants of Haemophilus influenzae beta-carbonic anhydrase.
Biochemistry, 48, 2009
3E1V
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BU of 3e1v by Molmil
H. influenzae beta-carbonic anhydrase, variant D44N
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Rowlett, R.S, Chapnick, D.A, Shah, S.
Deposit date:2008-08-04
Release date:2009-06-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric site variants of Haemophilus influenzae beta-carbonic anhydrase.
Biochemistry, 48, 2009
3E1W
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BU of 3e1w by Molmil
H. influenzae beta-carbonic anhydrase, variant D44N in 100 mM sodium bicarbonate
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Rowlett, R.S.
Deposit date:2008-08-04
Release date:2009-06-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric site variants of Haemophilus influenzae beta-carbonic anhydrase.
Biochemistry, 48, 2009
6D2M
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BU of 6d2m by Molmil
Beta Carbonic anhydrase in complex with thiocyanate
Descriptor: Carbonic anhydrase, IMIDAZOLE, ZINC ION
Authors:Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
Deposit date:2018-04-13
Release date:2018-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2J
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BU of 6d2j by Molmil
Beta Carbonic anhydrase in complex with thiocyanate
Descriptor: Carbonic anhydrase, POTASSIUM ION, THIOCYANATE ION, ...
Authors:Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
Deposit date:2018-04-13
Release date:2018-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2N
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BU of 6d2n by Molmil
Beta Carbonic anhydrase in complex with a sulfonamide anion
Descriptor: Carbonic anhydrase, ZINC ION, sulfuric diamide
Authors:Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
Deposit date:2018-04-13
Release date:2018-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6JQC
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BU of 6jqc by Molmil
The structural basis of the beta-carbonic anhydrase CafC (wild type) of the filamentous fungus Aspergillus fumigatus
Descriptor: Carbonic anhydrase, ZINC ION
Authors:Jin, M.S, Kim, S, Kim, N.J, Hong, S, Kim, S, Sung, J.
Deposit date:2019-03-30
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structural basis of the low catalytic activities of the two minor beta-carbonic anhydrases of the filamentous fungus Aspergillus fumigatus.
J.Struct.Biol., 208, 2019
6JQD
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BU of 6jqd by Molmil
The structural basis of the beta-carbonic anhydrase CafC (L25G and L78G mutant) of the filamentous fungus Aspergillus fumigatus
Descriptor: Carbonic anhydrase, ZINC ION
Authors:Jin, M.S, Kim, S, Kim, N.J, Hong, S, Kim, S, Sung, J.
Deposit date:2019-03-30
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The structural basis of the low catalytic activities of the two minor beta-carbonic anhydrases of the filamentous fungus Aspergillus fumigatus.
J.Struct.Biol., 208, 2019
4YHA
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BU of 4yha by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with methazolamide
Descriptor: Alpha-carbonic anhydrase, CHLORIDE ION, GLYCEROL, ...
Authors:Roujeinikova, A, Modak, J.K.
Deposit date:2015-02-27
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides.
Plos One, 10, 2015
6YJN
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BU of 6yjn by Molmil
Crystal structure of beta carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei.
Descriptor: Beta carbonic anhydrase, ZINC ION
Authors:Angeli, A, Ferraroni, M.
Deposit date:2020-04-03
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of a Tetrameric Type II beta-Carbonic Anhydrase from the Pathogenic BacteriumBurkholderia pseudomallei.
Molecules, 25, 2020
6KM3
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BU of 6km3 by Molmil
Human Carbonic Anhydrase II native 00 atm CO2
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Kim, J.K.
Deposit date:2019-07-30
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
7ONM
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BU of 7onm by Molmil
Carbonic anhydrase II mutant (N67G-E69R-I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
Descriptor: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
Deposit date:2021-05-25
Release date:2021-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
7ONQ
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BU of 7onq by Molmil
Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
Descriptor: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
Deposit date:2021-05-25
Release date:2021-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
7ONV
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BU of 7onv by Molmil
Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
Descriptor: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
Deposit date:2021-05-26
Release date:2021-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
2CA2
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BU of 2ca2 by Molmil
CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, THIOCYANATE ION, ...
Authors:Eriksson, A.E, Kylsten, P.M, Jones, T.A, Liljas, A.
Deposit date:1989-02-06
Release date:1990-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH.
Proteins, 4, 1988
6JQE
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BU of 6jqe by Molmil
The structural basis of the beta-carbonic anhydrases CafD (wild type) of the filamentous fungus Aspergillus fumigatus
Descriptor: Carbonic anhydrase, ZINC ION
Authors:Jin, M.S, Kim, S, Kim, N.J, Hong, S, Kim, S, Sung, J.
Deposit date:2019-03-30
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structural basis of the low catalytic activities of the two minor beta-carbonic anhydrases of the filamentous fungus Aspergillus fumigatus.
J.Struct.Biol., 208, 2019
5TFX
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BU of 5tfx by Molmil
New method for synthesis of benzoxazole amide inhibitors of carbonic anhydrase
Descriptor: Carbonic anhydrase 2, GLYCEROL, N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide, ...
Authors:Peat, T.S, Supuran, C.
Deposit date:2016-09-26
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Intramolecular oxidative deselenization of acylselenoureas: a facile synthesis of benzoxazole amides and carbonic anhydrase inhibitors.
Org. Biomol. Chem., 14, 2016
3UCM
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BU of 3ucm by Molmil
Coccomyxa beta-carbonic anhydrase in complex with thiocyanate
Descriptor: Carbonic anhydrase, THIOCYANATE ION, ZINC ION
Authors:Huang, S, Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2011-10-27
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.513 Å)
Cite:Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide.
Plos One, 6, 2011

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