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3V5G
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BU of 3v5g by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 4-sulfamido-benzenesulfonamide inhibitor
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, 4-(sulfamoylamino)benzenesulfonamide, Carbonic anhydrase 2, ...
著者D'Ambrosio, K, De Simone, G.
登録日2011-12-16
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups.
J.Med.Chem., 55, 2012
4COQ
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BU of 4coq by Molmil
The complex of alpha-Carbonic anhydrase from Thermovibrio ammonificans with inhibitor sulfanilamide.
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CARBONATE DEHYDRATASE, CHLORIDE ION, ...
著者James, P, Isupov, M.N, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.A.
登録日2014-01-30
公開日2014-10-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability
Acta Crystallogr.,Sect.D, 70, 2014
5OGN
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BU of 5ogn by Molmil
Metalacarborane inhibitors of Carbonic Anhydrase IX
分子名称: Carbonic anhydrase 2, ZINC ION, cobaltcarborane
著者Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V.
登録日2017-07-13
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
J.Med.Chem., 2019
2CBE
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BU of 2cbe by Molmil
STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES
分子名称: CARBONIC ANHYDRASE II
著者Hakansson, K, Carlsson, M, Svensson, L.A, Liljas, A.
登録日1992-06-01
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure of native and apo carbonic anhydrase II and structure of some of its anion-ligand complexes.
J.Mol.Biol., 227, 1992
2CBD
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BU of 2cbd by Molmil
STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES
分子名称: CARBONIC ANHYDRASE II, SULFITE ION, ZINC ION
著者Hakansson, K, Carlsson, M, Svensson, L.A, Liljas, A.
登録日1992-06-01
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure of native and apo carbonic anhydrase II and structure of some of its anion-ligand complexes.
J.Mol.Biol., 227, 1992
3V3H
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BU of 3v3h by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
分子名称: CHLORIDE ION, Carbonic anhydrase 2, ZINC ION
著者Boone, C.D, Fisher, S.Z, McKenna, R.
登録日2011-12-13
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
4CNR
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BU of 4cnr by Molmil
Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
分子名称: CARBONIC ANHYDRASE 2, ZINC ION
著者Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
登録日2014-01-24
公開日2015-02-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
4CQ0
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BU of 4cq0 by Molmil
Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes
分子名称: 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide, CARBONIC ANHYDRASE 2, FORMIC ACID, ...
著者Moeker, J, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S.
登録日2014-02-10
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes.
J.Med.Chem., 57, 2014
2CBA
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BU of 2cba by Molmil
STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Hakansson, K, Carlsson, M, Svensson, L.A, Liljas, A.
登録日1992-06-01
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structure of native and apo carbonic anhydrase II and structure of some of its anion-ligand complexes.
J.Mol.Biol., 227, 1992
2CA2
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BU of 2ca2 by Molmil
CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, THIOCYANATE ION, ...
著者Eriksson, A.E, Kylsten, P.M, Jones, T.A, Liljas, A.
登録日1989-02-06
公開日1990-01-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH.
Proteins, 4, 1988
7P1A
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BU of 7p1a by Molmil
Carbonic Anhydrase VII Sultam Based Inhibitors
分子名称: 4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
著者D'Ambrosio, K, De Simone, G.
登録日2021-07-01
公開日2021-11-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Sultam based Carbonic Anhydrase VII inhibitors for the management of neuropathic pain.
Eur.J.Med.Chem., 227, 2021
1KWQ
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BU of 1kwq by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 2000-07
分子名称: 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE, Carbonic anhydrase II, MERCURY (II) ION, ...
著者Grueneberg, S, Stubbs, M.T.
登録日2002-01-30
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation.
J.Med.Chem., 45, 2002
7ZL6
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BU of 7zl6 by Molmil
Azosemide in complex with human Carbonic anhydrase II (hCA II)
分子名称: Azosemide, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2022-04-14
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.383 Å)
主引用文献Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor
J.Mol.Struct., 1268, 2022
7ONP
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BU of 7onp by Molmil
Wild type carbonic anhydrase II with bound IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
分子名称: 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 2, ...
著者Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
登録日2021-05-25
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.408 Å)
主引用文献A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
7ZL5
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BU of 7zl5 by Molmil
Azosemide in complex with Carbonic Anhydrase I
分子名称: Azosemide, Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ...
著者Angeli, A, Ferraroni, M.
登録日2022-04-14
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.479 Å)
主引用文献Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor
J.Mol.Struct., 1268, 2022
1KOQ
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NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE
分子名称: CARBONIC ANHYDRASE, ZINC ION
著者Huang, S, Xue, Y, Chirica, L, Lindskog, S, Jonsson, B.-H.
登録日1998-03-22
公開日1998-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide.
J.Mol.Biol., 283, 1998
1KWR
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BU of 1kwr by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 0134-36
分子名称: 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE, Carbonic anhydrase II, ZINC ION
著者Grueneberg, S, Stubbs, M.T.
登録日2002-01-30
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation.
J.Med.Chem., 45, 2002
4E3F
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BU of 4e3f by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
分子名称: 2,6-DIHYDROXYBENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Cohen, S.M, Martin, D.P.
登録日2012-03-09
公開日2012-06-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
7ZWB
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BU of 7zwb by Molmil
human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide
分子名称: 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide
To Be Published
3V7X
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Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Mader, P, Brynda, J, Rezacova, P.
登録日2011-12-22
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
1LG5
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Crystal Structure Analysis of the HCA II Mutant T199P in complex with beta-mercaptoethanol
分子名称: BETA-MERCAPTOETHANOL, Carbonic anhydrase II, ZINC ION
著者Huang, S, Sjoblom, B, Sauer-Eriksson, A.E, Jonsson, B.-H.
登録日2002-04-15
公開日2002-07-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Organization of an efficient carbonic anhydrase: implications for the mechanism based on structure-function studies of a T199P/C206S mutant.
Biochemistry, 41, 2002
7ORQ
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crystal structure of human carbonic anhydrase II in complex with 4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
分子名称: 4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Angeli, A, Ferraroni, M.
登録日2021-06-06
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
7ORP
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crystal structure of human carbonic anhydrase II in complex with 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide
分子名称: 4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Angeli, A, Ferraroni, M.
登録日2021-06-06
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
1LGD
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Crystal Structure Analysis of HCA II Mutant T199P in Complex with Bicarbonate
分子名称: BICARBONATE ION, Carbonic anhydrase II, ZINC ION
著者Huang, S, Sjoblom, B, Sauer-Eriksson, A.E, Jonsson, B.-H.
登録日2002-04-15
公開日2002-07-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Organization of an efficient carbonic anhydrase: implications for the mechanism based on structure-function studies of a T199P/C206S mutant.
Biochemistry, 41, 2002
7OYM
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Carbonic anhydrase II in complex with Hit2 (MH65)
分子名称: Carbonic anhydrase 2, Hit2 (MH65), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023

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