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7QNV
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BU of 7qnv by Molmil
human carbonic anhydrase II bound to 3-methylbenzoselenoate
分子名称: 3-methylbenzoselenoate, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-12-22
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.278 Å)
主引用文献Benzoselenoates: A novel class of carbonic anhydrase inhibitors.
Bioorg.Chem., 122, 2022
4WAK
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BU of 4wak by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A
分子名称: BICARBONATE ION, Carbonic anhydrase 2, POTASSIUM ION, ...
著者Hoffmann, K.M, Rowlett, R.S.
登録日2014-08-29
公開日2014-12-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
3HS4
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BU of 3hs4 by Molmil
Human carbonic anhydrase II complexed with acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Robbins, A.H, Genis, C, Domsic, J, Sippel, K.H, Agbandje-McKenna, M, McKenna, R.
登録日2009-06-10
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-resolution structure of human carbonic anhydrase II complexed with acetazolamide reveals insights into inhibitor drug design.
Acta Crystallogr.,Sect.F, 65, 2009
2NWZ
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BU of 2nwz by Molmil
Structural and kinetic effects of hydrophobic mutations on the active site of human carbonic anhydrase II
分子名称: SULFATE ION, ZINC ION, carbonic anhydrase 2
著者Fisher, S.Z, McKenna, R.
登録日2006-11-16
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
8DYQ
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BU of 8dyq by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ...
著者Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
登録日2022-08-04
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
8DR2
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BU of 8dr2 by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
分子名称: 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide, Carbonic anhydrase, SULFATE ION, ...
著者Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
登録日2022-07-20
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
8DRB
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BU of 8drb by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
分子名称: 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase, SULFATE ION, ...
著者Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
登録日2022-07-20
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
2NWP
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BU of 2nwp by Molmil
Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II
分子名称: SULFATE ION, ZINC ION, carbonic anhydrase 2
著者Fisher, S.Z, McKenna, R.
登録日2006-11-16
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
2NXR
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BU of 2nxr by Molmil
Structural effects of hydrophobic mutations on the active site of human carbonic anhydrase II
分子名称: SULFATE ION, ZINC ION, carbonic anhydrase 2
著者Fisher, S.Z, McKenna, R.
登録日2006-11-19
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
2NXT
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BU of 2nxt by Molmil
Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II
分子名称: ZINC ION, carbonic anhydrase 2
著者Fisher, S.Z, McKenna, R.
登録日2006-11-19
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
7BFA
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BU of 7bfa by Molmil
4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-01-02
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7BG5
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BU of 7bg5 by Molmil
4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-01-05
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.428 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7COI
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BU of 7coi by Molmil
Crystal structure of the b-carbonic anhydrase CafA of the fungal pathogen Aspergillus fumigatus
分子名称: ACETATE ION, Carbonic anhydrase, ZINC ION
著者Jin, M.S, Kim, S, Yeon, J, Sung, J.
登録日2020-08-04
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of beta-Carbonic Anhydrase CafA from the Fungal Pathogen Aspergillus fumigatus .
Mol.Cells, 43, 2020
7COJ
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BU of 7coj by Molmil
Crystal structure of the b-carbonic anhydrase CafA of the fungal pathogen Aspergillus fumigatus
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, ZINC ION
著者Jin, M.S, Kim, S, Yeon, J, Sung, J.
登録日2020-08-04
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of beta-Carbonic Anhydrase CafA from the Fungal Pathogen Aspergillus fumigatus .
Mol.Cells, 43, 2020
7CXX
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BU of 7cxx by Molmil
Structural insights into novel mechanisms of inhibition of the major b-carbonic anhydrase CafB from the pathogenic fungus Aspergillus fumigatus (disulfide-bonded form)
分子名称: ACETATE ION, Carbonic anhydrase, SULFATE ION
著者Jin, M.S, Kim, S, Yeon, J, Sung, J, Kim, N.J, Hong, S.
登録日2020-09-02
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into novel mechanisms of inhibition of the major beta-carbonic anhydrase CafB from the pathogenic fungus Aspergillus fumigatus.
J.Struct.Biol., 213, 2021
7CXW
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BU of 7cxw by Molmil
Structural insights into novel mechanisms of inhibition of the major b-carbonic anhydrase CafB from the pathogenic fungus Aspergillus fumigatus (C116 flipped form)
分子名称: ACETATE ION, Carbonic anhydrase
著者Jin, M.S, Kim, S, Yeon, J, Sung, J, Kim, N.J, Hong, S.
登録日2020-09-02
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into novel mechanisms of inhibition of the major beta-carbonic anhydrase CafB from the pathogenic fungus Aspergillus fumigatus.
J.Struct.Biol., 213, 2021
4X5S
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BU of 4x5s by Molmil
The crystal structure of an alpha carbonic anhydrase from the extremophilic bacterium Sulfurihydrogenibium azorense.
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase (Carbonate dehydratase), ...
著者De Simone, G, Alterio, V, Di Fiore, A.
登録日2014-12-05
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense.
Bioorg.Med.Chem.Lett., 25, 2015
5MSB
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BU of 5msb by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2017-01-02
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
4WUQ
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BU of 4wuq by Molmil
Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-piperidin-1-ylbenzenesulfonamide
分子名称: 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide, Carbonic anhydrase 1, DI(HYDROXYETHYL)ETHER, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2014-11-03
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
3IEO
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BU of 3ieo by Molmil
The coumarin-binding site in carbonic anhydrase: the antiepileptic lacosamide as an example
分子名称: BENZOIC ACID, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Innocenti, A, Scozzafava, A, Parkkila, S, Supuran, C.T.
登録日2009-07-23
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The coumarin-binding site in carbonic anhydrase accommodates structurally diverse inhibitors: the antiepileptic lacosamide as an example and lead molecule for novel classes of carbonic anhydrase inhibitors
J.Med.Chem., 53, 2010
3HLJ
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BU of 3hlj by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide
分子名称: 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide, Carbonic anhydrase 2, SODIUM ION, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2009-05-27
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulphonamides
J Enzyme Inhib Med Chem, 25, 2010
6XZE
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BU of 6xze by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
登録日2020-02-04
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
6XZS
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BU of 6xzs by Molmil
Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, F, Supuran, C.T.
登録日2020-02-05
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
6XZY
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BU of 6xzy by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
登録日2020-02-05
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
5JN9
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BU of 5jn9 by Molmil
Crystal structure for the complex of human carbonic anhydrase IV and ethoxyzolamide
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ...
著者Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
登録日2016-04-29
公開日2017-05-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018

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