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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
4QJX
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BU of 4qjx by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-06-05
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QJW
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BU of 4qjw 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-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-06-05
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
8OLD
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BU of 8old by Molmil
Crystal structure of Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains, CACODYLATE ION, ...
Authors:Manakova, E.N, Zaremba, M, Grazulis, S.
Deposit date:2023-03-30
Release date:2024-01-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
8OK9
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BU of 8ok9 by Molmil
Heterodimeric complex of Archaeoglobus fulgidus Argonaute protein Af1318 (AfAgo) with DNA and AfAgo-N protein containing N-L1-L2 domains
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Archaeoglobus fulgidus AfAgo-N protein, ...
Authors:Manakova, E.N, Zaremba, M.
Deposit date:2023-03-27
Release date:2024-01-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
8OLJ
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BU of 8olj by Molmil
Crystal structure of Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains, ...
Authors:Manakova, E.N, Zaremba, M, Grazulis, S.
Deposit date:2023-03-30
Release date:2024-01-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
8PVV
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BU of 8pvv by Molmil
Archaeoglobus fulgidus AfAgo complex with AfAgo-N protein (fAfAgo) bound with 30 nt RNA guide and 51 nt DNA target
Descriptor: Archaeoglobus fulgidus AfAgo-N protein, DNA (51-MER), MAGNESIUM ION, ...
Authors:Manakova, E.N, Zaremba, M, Pocevicuite, R, Golovinas, E, Sasnauskas, G, Zagorskaite, E, Silanskas, A.
Deposit date:2023-07-18
Release date:2024-01-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
8QG0
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BU of 8qg0 by Molmil
Archaeoglobus fulgidus AfAgo complex with AfAgo-N protein (fAfAgo) bound with 17 nt RNA guide and 17 nt DNA target
Descriptor: AfAgo-N protein, DNA target 17 nt, Piwi protein, ...
Authors:Manakova, E.N, Zaremba, M, Pocevicuite, R, Golovinas, E, Zagorskaite, E, Silanskas, A.
Deposit date:2023-09-05
Release date:2024-01-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
3V20
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BU of 3v20 by Molmil
Crystal structure of Type IIF restriction endonuclease Bse634I with cognate DNA
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Manakova, E.N, Grazulis, S, Golovenko, D, Tamulaitiene, G.
Deposit date:2011-12-11
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural mechanisms of the degenerate sequence recognition by Bse634I restriction endonuclease.
Nucleic Acids Res., 40, 2012
3V1Z
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BU of 3v1z by Molmil
Crystal structure of Type IIF restriction endonuclease Bse634I with cognate DNA
Descriptor: DNA (5'-D(*TP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*CP*G)-3'), Endonuclease Bse634IR
Authors:Manakova, E.N, Grazulis, S, Golovenko, D, Tamulaitiene, G.
Deposit date:2011-12-11
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural mechanisms of the degenerate sequence recognition by Bse634I restriction endonuclease.
Nucleic Acids Res., 40, 2012
3V21
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BU of 3v21 by Molmil
Crystal structure of Type IIF restriction endonuclease Bse634I with cognate DNA
Descriptor: DNA (5'-D(*TP*TP*CP*GP*AP*CP*CP*GP*GP*TP*CP*GP*A)-3'), Endonuclease Bse634IR
Authors:Manakova, E.N, Grazulis, S, Golovenko, D, Tamulaitiene, G.
Deposit date:2011-12-11
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural mechanisms of the degenerate sequence recognition by Bse634I restriction endonuclease.
Nucleic Acids Res., 40, 2012
4ABT
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BU of 4abt by Molmil
Crystal structure of Type IIF restriction endonuclease NgoMIV with cognate uncleaved DNA
Descriptor: 5'-D(*TP*GP*CP*GP*CP*CP*GP*GP*CP*GP*CP)-3', CALCIUM ION, TYPE-2 RESTRICTION ENZYME NGOMIV
Authors:Manakova, E.N, Grazulis, S, Zaremba, M, Tamulaitiene, G, Golovenko, D, Siksnys, V.
Deposit date:2011-12-11
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure of Type Iif Restriction Endonuclease Ngomiv with Cognate Uncleaved DNA
To be Published
6T4O
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BU of 6t4o by Molmil
Human Carbonic anhydrase II bound by 3,5-dimethylbenzenesulfonamide
Descriptor: 3,5-dimethylbenzenesulfonamide, BICINE, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-14
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.133 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T5P
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BU of 6t5p by Molmil
Human Carbonic anhydrase XII bound by 3,5-Di-tert-butylbenzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3,5-di~{tert}-butylbenzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-16
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T4P
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BU of 6t4p by Molmil
Human Carbonic anhydrase II bound by napthalene-1-sulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, SODIUM ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-14
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6XUP
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BU of 6xup by Molmil
Archaeoglobus fulgidus Argonaute protein with DNA oligoduplex 5'-pATCGTGGCCACGAT
Descriptor: 5'-D(*AP*TP*CP*GP*TP*GP*GP*CP*CP*AP*CP*GP*AP*TP)-3', BETA-MERCAPTOETHANOL, CACODYLATE ION, ...
Authors:Grazulis, S, Zaremba, M.
Deposit date:2020-01-20
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Archaeoglobus fulgidus Argonaute protein with DNA oligoduplex 5'-pATCGTGGCCACGAT
To be published
6XU0
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BU of 6xu0 by Molmil
Archaeoglobus fulgidus Argonaute protein with DNA oligoduplex 5'-pATCGTGGCCACGAT
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 5'-D(*AP*TP*CP*GP*TP*GP*GP*CP*CP*AP*CP*GP*AP*TP)-3', BETA-MERCAPTOETHANOL, ...
Authors:Grazulis, S, Zaremba, M.
Deposit date:2020-01-17
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Archaeoglobus fulgidus Argonaute protein with DNA oligoduplex 5'-pATCGTGGCCACGAT
To be published
6T22
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BU of 6t22 by Molmil
N-terminal domain of EcoKMcrA restriction endonuclease (NEco) in complex with T5hmCGA target sequence
Descriptor: DNA (5'-D(*GP*AP*AP*TP*(5HC)P*GP*AP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*TP*(5HC)P*GP*AP*TP*TP*C)-3'), EcoKMcrA modification dependent restriction endonuclease
Authors:Slyvka, A, Zagorskaite, E, Czapinska, H, Sasnauskas, G, Bochtler, M.
Deposit date:2019-10-07
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of the EcoKMcrA N-terminal domain (NEco): recognition of modified cytosine bases without flipping.
Nucleic Acids Res., 47, 2019
6T81
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BU of 6t81 by Molmil
Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide.
Descriptor: AZIDE ION, BICINE, SODIUM ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-23
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T4N
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BU of 6t4n by Molmil
Human Carbonic anhydrase II bound by 2,4,6-trimethylbenzenesulfonamide
Descriptor: 2,4,6-trimethylbenzenesulfonamide, 2-piperazin-1-ylethanol, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-14
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T5C
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BU of 6t5c by Molmil
Human Carbonic anhydrase II bound by anthracene-9-sulfonamide
Descriptor: BICINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-15
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T5Q
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BU of 6t5q by Molmil
Human Carbonic anhydrase XII bound by 3,5-diphenylbenzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-16
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
7PP9
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BU of 7pp9 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
Descriptor: Carbonic anhydrase 12, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Authors:Leitans, J, Tars, K, Dvinskis, E.
Deposit date:2021-09-13
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.34 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
7POM
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BU of 7pom by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Authors:Leitans, J, Tars, K.
Deposit date:2021-09-09
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.98 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
6GCE
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BU of 6gce by Molmil
DNA binding domain of restriction endonuclease McrBC in complex with 5-formylcytosine DNA
Descriptor: 5-methylcytosine-specific restriction enzyme B, DNA (5'-D(*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*(5FC)P*CP*GP*GP*TP*CP*TP*C)-3')
Authors:Sasnauskas, G.
Deposit date:2018-04-17
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of modified cytosine variants by the DNA-binding domain of methyl-directed endonuclease McrBC.
FEBS Lett., 592, 2018

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