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7Q0E
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BU of 7q0e by Molmil
Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
Descriptor: BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-10-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7PUW
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BU of 7puw by Molmil
Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4-[(2-phenylethyl)sulfanyl]-5-sulfamoylbenzoate
Descriptor: 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-09-30
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7PUV
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BU of 7puv by Molmil
Crystal structure of carbonic anhydrase XII with methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
Descriptor: 1,2-ETHANEDIOL, Carbonic anhydrase 12, DI(HYDROXYETHYL)ETHER, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-09-30
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7Q0C
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BU of 7q0c by Molmil
Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate
Descriptor: ACETATE ION, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-10-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
6GCD
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BU of 6gcd by Molmil
DNA binding domain of restriction endonuclease McrBC in complex with 5-hydroxymethylcytosine DNA
Descriptor: 5-methylcytosine-specific restriction enzyme B, DNA (5'-D(*GP*AP*GP*AP*(5HC)P*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*(5HC)P*CP*GP*GP*TP*CP*TP*C)-3')
Authors:Sasnauskas, G, Manakova, E.
Deposit date:2018-04-17
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of modified cytosine variants by the DNA-binding domain of methyl-directed endonuclease McrBC.
FEBS Lett., 592, 2018
6G7A
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BU of 6g7a by Molmil
Crystal structure of human carbonic anhydrase isozyme XII 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2018-04-05
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
6G5L
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BU of 6g5l by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2018-03-29
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
3ZI5
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BU of 3zi5 by Molmil
Crystal STRUCTURE OF RESTRICTION ENDONUCLEASE BFII C-TERMINAL RECOGNITION DOMAIN IN COMPLEX WITH COGNATE DNA
Descriptor: 5'-D(*AP*GP*CP*AP*CP*TP*GP*GP*GP*TP*CP*GP)-3', 5'-D(*CP*GP*AP*CP*CP*CP*AP*GP*TP*GP*CP*TP)-3', RESTRICTION ENDONUCLEASE
Authors:Golovenko, D, Manakova, E, Zakrys, L, Zaremba, M, Sasnauskas, G, Grazulis, S, Siksnys, V.
Deposit date:2013-01-03
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Insight Into the Specificity of the B3 DNA-Binding Domains Provided by the Co-Crystal Structure of the C-Terminal Fragment of Bfii Restriction Enzyme
Nucleic Acids Res., 42, 2014
4KNM
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BU of 4knm by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Descriptor: 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 13, TRIETHYLENE GLYCOL, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-05-10
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
4KP5
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BU of 4kp5 by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-05-13
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
4KNJ
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BU of 4knj by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-05-10
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
4KNN
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BU of 4knn by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, ACETIC ACID, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-05-10
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.404 Å)
Cite:Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
4KNI
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BU of 4kni by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-05-10
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
4KP8
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BU of 4kp8 by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 3-[(Pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-05-13
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
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
5MSA
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BU of 5msa by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2017-01-02
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
To be published
5OHH
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BU of 5ohh by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2017-07-17
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To be published
5OS9
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BU of 5os9 by Molmil
Structure of the B3 DNA-Binding Domain of NGA1
Descriptor: B3 domain-containing transcription factor NGA1
Authors:Sasnauskas, G, Manakova, E.
Deposit date:2017-08-17
Release date:2018-09-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DNA recognition by Arabidopsis transcription factors ABI3 and NGA1.
FEBS J., 285, 2018
5OGO
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BU of 5ogo by Molmil
Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2017-07-13
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
To be published
3S9T
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BU of 3s9t by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
Descriptor: 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Grazulis, S, Manakova, E, Tamulaitiene, G.
Deposit date:2011-06-02
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
3SAP
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BU of 3sap by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-butyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, ...
Authors:Grazulis, S, Manakova, E, Tamulaitiene, G.
Deposit date:2011-06-03
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
3SAX
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BU of 3sax by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(5-ethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
Descriptor: 2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Grazulis, S, Manakova, E, Tamulaitiene, G.
Deposit date:2011-06-03
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
3S8X
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BU of 3s8x by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
Descriptor: 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Grazulis, S, Manakova, E, Tamulaitiene, G.
Deposit date:2011-05-31
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012

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數據於2024-06-26公開中

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