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3E24
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BU of 3e24 by Molmil
H. influenzae beta-carbonic anhydrase, variant W39F
Descriptor: Carbonic anhydrase 2, PHOSPHATE 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 (2.301 Å)
Cite:Allosteric site variants of Haemophilus influenzae beta-carbonic anhydrase.
Biochemistry, 48, 2009
3E3G
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BU of 3e3g by Molmil
H. influenzae beta-carbonic anhydrase, variant G41A
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION
Authors:Rowlett, R.S, Failing, H.
Deposit date:2008-08-07
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010
4E3G
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BU of 4e3g by Molmil
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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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
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
6RZX
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BU of 6rzx by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA
Descriptor: 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2019-06-13
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
4CNV
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BU of 4cnv by Molmil
Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
Descriptor: CARBONIC ANHYDRASE 2, GLYCEROL, 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 (1.62 Å)
Cite:Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
4CNR
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BU of 4cnr by Molmil
Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
Descriptor: CARBONIC ANHYDRASE 2, ZINC ION
Authors:Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
Deposit date:2014-01-24
Release date:2015-02-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
6S03
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BU of 6s03 by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379
Descriptor: 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2019-06-13
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
6SDS
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BU of 6sds by Molmil
HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2019-07-29
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 63, 2020
1YDC
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BU of 1ydc by Molmil
STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1994-12-22
Release date:1995-02-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of inhibitor affinity to variants of human carbonic anhydrase II.
Biochemistry, 34, 1995
4QK2
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BU of 4qk2 by Molmil
Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - E234P
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Boone, C.D, Rasi, V, McKenna, R.
Deposit date:2014-06-05
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.519 Å)
Cite:Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
4QK1
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BU of 4qk1 by Molmil
Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - K170P
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Rasi, V, McKenna, R.
Deposit date:2014-06-05
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
6UFD
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BU of 6ufd by Molmil
Carbonic anhydrase 2 with inhibitor (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide (11g/D7)
Descriptor: (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Peat, T.S.
Deposit date:2019-09-24
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action.
J.Med.Chem., 63, 2020
4QK3
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BU of 4qk3 by Molmil
Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - [delta]230-240
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Rasi, V, McKenna, R.
Deposit date:2014-06-05
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.345 Å)
Cite:Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
6U4T
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BU of 6u4t by Molmil
Carbonic anhydrase 9 in complex with SB4197
Descriptor: 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
Authors:Murray, A.B, Lomelino, C.L, McKenna, R.
Deposit date:2019-08-26
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.356 Å)
Cite:"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6UFC
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BU of 6ufc by Molmil
Carbonic anhydrase 2 with inhibitor (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide (11d/D4)
Descriptor: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-09-24
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.325 Å)
Cite:Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action.
J.Med.Chem., 63, 2020
4R5A
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BU of 4r5a by Molmil
A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate
Descriptor: (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Mahon, B.P, McKenna, R.
Deposit date:2014-08-20
Release date:2014-10-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014
6UFB
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BU of 6ufb by Molmil
Carbonic anhydrase 2 with inhibitor (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide (11a/D1)
Descriptor: (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Peat, T.S.
Deposit date:2019-09-24
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action.
J.Med.Chem., 63, 2020
4R59
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BU of 4r59 by Molmil
A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate
Descriptor: (1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Mahon, B.P, McKenna, R.
Deposit date:2014-08-20
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014
4RFC
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BU of 4rfc by Molmil
Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
Descriptor: Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
Authors:Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T.
Deposit date:2014-09-25
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.645 Å)
Cite:A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
2FOQ
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BU of 2foq by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-13
Release date:2006-02-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
4RIV
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BU of 4riv by Molmil
A Carbonic Anhydrase IX Mimic in Complex with Saccharin
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Mahon, B.P, McKenna, R.
Deposit date:2014-10-07
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Saccharin: A lead compound for structure-based drug design of carbonic anhydrase IX inhibitors.
Bioorg.Med.Chem., 23, 2015

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