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5EHE
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BU of 5ehe by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2015-10-28
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
5DRS
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BU of 5drs by Molmil
Crystal structure of human carbonic anhydraseisozyme II with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2015-09-16
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
5DOH
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BU of 5doh by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
Descriptor: 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2015-09-11
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
3MHI
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BU of 3mhi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide
Descriptor: 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-04-08
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3MHO
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BU of 3mho by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]benzenesulfonamide
Descriptor: 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D, Sukackaite, R.
Deposit date:2010-04-08
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3MHM
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BU of 3mhm by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
Descriptor: 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-04-08
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3M40
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BU of 3m40 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
Descriptor: 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-03-10
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3M96
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BU of 3m96 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
Descriptor: 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-03-20
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.
Bioorg.Med.Chem., 18, 2010
3MHL
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BU of 3mhl by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
Descriptor: 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-04-08
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3M3X
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BU of 3m3x by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
Descriptor: 4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-03-10
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3M5E
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BU of 3m5e by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide
Descriptor: 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-03-12
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3MYQ
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BU of 3myq by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-05-11
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.
Bioorg.Med.Chem., 18, 2010
6EKO
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BU of 6eko by Molmil
Crystal structure of Type IIP restriction endonuclease PfoI with cognate DNA
Descriptor: CALCIUM ION, DNA (5'-D(*CP*GP*CP*TP*CP*CP*CP*GP*GP*AP*GP*CP*GP*T)-3'), Restriction endonuclease PfoI
Authors:Tamulaitiene, G, Manakova, E, Jovaisaite, V, Grazulis, S, Siksnys, V.
Deposit date:2017-09-26
Release date:2018-10-10
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.284 Å)
Cite:Unique mechanism of target recognition by PfoI restriction endonuclease of the CCGG-family.
Nucleic Acids Res., 47, 2019
6EKR
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BU of 6ekr by Molmil
Crystal structure of Type IIP restriction endonuclease Kpn2I
Descriptor: SULFATE ION, Type ii site-specific deoxyribonuclease
Authors:Tamulaitiene, G, Manakova, E, Grazulis, S, Siksnys, V.
Deposit date:2017-09-27
Release date:2018-10-10
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Crystal structure of Type IIP restriction endonuclease PfoI with cognate DNA
To Be Published
6EK1
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BU of 6ek1 by Molmil
Crystal structure of Type IIP restriction endonuclease PfoI
Descriptor: 1,2-ETHANEDIOL, restriction endonuclease PfoI
Authors:Tamulaitiene, G, Manakova, E, Jovaisaite, V, Grazulis, S, Siksnys, V.
Deposit date:2017-09-25
Release date:2018-10-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Unique mechanism of target recognition by PfoI restriction endonuclease of the CCGG-family.
Nucleic Acids Res., 47, 2019
4Q6D
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BU of 4q6d by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[(Z)-azepan-1-yldiazenyl]benzenesulfonamide
Descriptor: 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-04-22
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014
4Q6E
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BU of 4q6e by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzene-1-sulfonamide
Descriptor: 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-04-22
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014
4QSJ
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BU of 4qsj by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, CITRIC ACID, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-07-04
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
4QSA
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BU of 4qsa by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-07-03
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
4QSB
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BU of 4qsb by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-07-03
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
6ROF
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BU of 6rof by Molmil
Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
Descriptor: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S.
Deposit date:2019-05-12
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To Be Published
6RMY
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BU of 6rmy by Molmil
Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S.
Deposit date:2019-05-07
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
To Be Published
6RMX
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BU of 6rmx by Molmil
Human Carbonic anhydrase II mutant T199V bound by 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
Descriptor: 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S.
Deposit date:2019-05-07
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Human Carbonic anhydrase II mutant T199V bound by 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To Be Published
4QJO
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BU of 4qjo by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-06-04
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QJM
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BU of 4qjm by Molmil
Crystal structure of human carbonic anhydrase isozyme II with inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-06-04
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015

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