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4C3T
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BU of 4c3t by Molmil
The Carbonic anhydrase from Thermovibrio ammonificans reveals an interesting intermolecular disulfide contributing to increasing thermal stability of this enzyme
Descriptor: CARBONATE DEHYDRATASE, CHLORIDE ION, ZINC ION
Authors:James, P, Isupov, M, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.
Deposit date:2013-08-27
Release date:2014-09-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability
Acta Crystallogr.,Sect.D, 70, 2014
4E3G
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Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
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 (1.55 Å)
Cite:Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
4E3H
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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
4E3F
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Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: 2,6-DIHYDROXYBENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
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
4E9O
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BU of 4e9o by Molmil
Vaccinia D8L ectodomain structure
Descriptor: IMV membrane protein, IODIDE ION
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2012-03-21
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
4ETQ
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Vaccinia virus D8L IMV envelope protein in complex with Fab of murine IgG2a LA5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2012-04-24
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
4CNW
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Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
Descriptor: CALCIUM ION, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
Deposit date:2014-01-25
Release date:2015-02-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
4E4A
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BU of 4e4a by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: 2-sulfanylbenzoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
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
4DZ7
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BU of 4dz7 by Molmil
hCA II in complex with novel sulfonamide inhibitors Set D
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-02-29
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
4DZ9
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hCA II in complex with novel sulfonamide inhibitors Set D
Descriptor: 4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-02-29
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
4E3D
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Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: 2,5-dihydroxybenzoic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Cohen, S.M.
Deposit date:2012-03-09
Release date:2012-06-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 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
4E5Q
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BU of 4e5q by Molmil
Human Carbonic Anhydrase II in complex with cyanate
Descriptor: Carbonic anhydrase 2, ZINC ION, cyanic acid
Authors:West, D, McKenna, R.
Deposit date:2012-03-14
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7024 Å)
Cite:Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4CA2
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ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Alexander, R.S, Christianson, D.W.
Deposit date:1991-06-08
Release date:1992-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
4CAC
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BU of 4cac by Molmil
REFINED STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 2.0 ANGSTROMS RESOLUTION
Descriptor: CARBONIC ANHYDRASE FORM C, ZINC ION
Authors:Lindahl, M, Habash, D, Harrop, S, Helliwell, D.R, Liljas, A.
Deposit date:1991-09-05
Release date:1994-01-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined structure of human carbonic anhydrase II at 2.0 A resolution.
Proteins, 4, 1988
4FRC
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BU of 4frc by Molmil
Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
Authors:Di Pizio, A, Heine, A, Klebe, G.
Deposit date:2012-06-26
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
5HPJ
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BU of 5hpj by Molmil
Photobacterium profundum alpha-carbonic anhydrase
Descriptor: CHLORIDE ION, Carbonic anhydrase, ZINC ION
Authors:Somalinga, V, Buhrman, G.
Deposit date:2016-01-20
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A High-Resolution Crystal Structure of a Psychrohalophilic alpha-Carbonic Anhydrase from Photobacterium profundum Reveals a Unique Dimer Interface.
PLoS ONE, 11, 2016
5JES
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BU of 5jes by Molmil
Human carbonic anhydrase II (V121T) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.205 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JE7
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Human carbonic anhydrase II (F131Y) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-17
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JG5
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BU of 5jg5 by Molmil
Human carbonic anhydrase II (V121T/F131Y) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-19
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JGT
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BU of 5jgt by Molmil
Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide
Descriptor: 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-20
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JNC
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BU of 5jnc by Molmil
Crystal structure for the complex of human carbonic anhydrase IV and 4-aminomethylbenzene sulfonamide
Descriptor: 4-(aminomethyl)benzene-1-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ...
Authors:Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
Deposit date:2016-04-29
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
5JQ0
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BU of 5jq0 by Molmil
Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH=8.7
Descriptor: 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, Esposito, D, Di Fiore, A, De Simone, G.
Deposit date:2016-05-04
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
5JN9
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Crystal structure for the complex of human carbonic anhydrase IV and ethoxyzolamide
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ...
Authors:Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
Deposit date:2016-04-29
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
5JQT
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Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4
Descriptor: 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, 2,1-benzoxaborol-1(3H)-ol, 4-(HYDROXYMERCURY)BENZOIC ACID, ...
Authors:Alterio, V, Esposito, D, Di Fiore, A, De Simone, G.
Deposit date:2016-05-05
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016

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