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6YL7
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BU of 6yl7 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:2020-04-06
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Crystal Structure of a Tetrameric Type II beta-Carbonic Anhydrase from the Pathogenic BacteriumBurkholderia pseudomallei.
Molecules, 25, 2020
8EMU
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BU of 8emu by Molmil
Human Carbonic Anhydrase II Heterobifunctional Degraders
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(2-methoxyethyl)-4-sulfamoylbenzamide, ...
Authors:Kohlbrand, A.J, O'Herin, C.B.
Deposit date:2022-09-28
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 66, 2023
8EXC
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BU of 8exc by Molmil
Human Carbonic Anhydrase II bound tert-butyl (3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamate
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide, ...
Authors:Kohlbrand, A.J, O'Herin, C.B.
Deposit date:2022-10-25
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023
7QBH
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BU of 7qbh by Molmil
Selenocarbamates as a novel prodrug-based approach towards Carbonic Anhydrase inhibition (hCA II)
Descriptor: Carbonic anhydrase 2, ZINC ION, phenylmethaneselenol
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-11-19
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.223 Å)
Cite:Selenocarbamates As a Prodrug-Based Approach to Carbonic Anhydrase Inhibition.
Chemmedchem, 17, 2022
1A42
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BU of 1a42 by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE
Descriptor: (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Boriack-Sjodin, P.A, Christianson, D.W.
Deposit date:1998-02-10
Release date:1999-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
5NXM
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BU of 5nxm by Molmil
Carbonic Anhydrase II Inhibitor RA1
Descriptor: 8-methoxy-2-oxidanylidene-~{N}-(4-sulfamoylphenyl)chromene-3-carboxamide, Carbonic anhydrase 2, ZINC ION
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-10
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NXI
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BU of 5nxi by Molmil
Carbonic Anhydrase II Inhibitor RA2
Descriptor: 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide, CITRIC ACID, Carbonic anhydrase 2, ...
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-10
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NXO
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BU of 5nxo by Molmil
Carbonic Anhydrase II Inhibitor RA6
Descriptor: 4-[(4-nitrophenyl)methyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-10
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NXV
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BU of 5nxv by Molmil
Carbonic Anhydrase II Inhibitor RA8
Descriptor: 2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-11
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NY3
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BU of 5ny3 by Molmil
Carbonic Anhydrase II Inhibitor RA11
Descriptor: 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, ZINC ION
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-11
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
7RNZ
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BU of 7rnz by Molmil
Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative
Descriptor: 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide, AZIDE ION, Carbonic anhydrase 2, ...
Authors:Combs, J, McKenna, R.
Deposit date:2021-07-30
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
5NY1
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BU of 5ny1 by Molmil
Carbonic Anhydrase II Inhibitor RA10
Descriptor: 3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide, Carbonic anhydrase 2, ZINC ION
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-11
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NY6
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BU of 5ny6 by Molmil
Carbonic Anhydrase II Inhibitor RA12
Descriptor: 4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide, 4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide, Carbonic anhydrase 2, ...
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-11
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NXG
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BU of 5nxg by Molmil
Carbonic Anhydrase II Inhibitor RA1
Descriptor: 2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide, Carbonic anhydrase 2, ZINC ION
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-10
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NXP
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BU of 5nxp by Molmil
Carbonic Anhydrase II Inhibitor RA7
Descriptor: 2-[methyl(phenyl)amino]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-10
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NXW
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BU of 5nxw by Molmil
Carbonic Anhydrase II Inhibitor RA9
Descriptor: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-11
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
1CAN
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BU of 1can by Molmil
CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, NITRATE ION
Authors:Mangani, S, Hakansson, K.
Deposit date:1992-07-02
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic studies of the binding of protonated and unprotonated inhibitors to carbonic anhydrase using hydrogen sulphide and nitrate anions.
Eur.J.Biochem., 210, 1992
7SUY
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BU of 7suy by Molmil
Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SUW
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BU of 7suw by Molmil
Carbonic Anhydrase IX-mimic with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
Authors:McKenna, R, Combs, J.E.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.456 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SV1
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BU of 7sv1 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.559 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SV8
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BU of 7sv8 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
1BNV
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BU of 1bnv by Molmil
CARBONIC ANHYDRASE II INHIBITOR
Descriptor: (S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
Authors:Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
Deposit date:1998-07-30
Release date:1999-02-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNN
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BU of 1bnn by Molmil
CARBONIC ANHYDRASE II INHIBITOR
Descriptor: 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
Authors:Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
Deposit date:1998-07-30
Release date:1999-05-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNT
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BU of 1bnt by Molmil
CARBONIC ANHYDRASE II INHIBITOR
Descriptor: 3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
Authors:Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
Deposit date:1998-07-30
Release date:1999-06-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BN3
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BU of 1bn3 by Molmil
CARBONIC ANHYDRASE II INHIBITOR
Descriptor: 2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
Authors:Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
Deposit date:1998-07-31
Release date:1999-05-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998

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