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PDB: 1333 件
9CA2
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ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Alexander, R.S, Christianson, D.W.
登録日1991-07-09
公開日1992-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
4TWM
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BU of 4twm by Molmil
Crystal structure of dioscorin from Dioscorea japonica
分子名称: Dioscorin 5, SULFATE ION
著者Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2014-07-01
公開日2015-04-01
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase
Mol Plant, 8, 2015
4UOV
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The structure of a tetrameric alpha-carbonic anhydrase from Thermovibrio ammonificans reveals a core formed around intermolecular disulfides, which contribute to its thermostability.
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
著者James, P, Isupov, M, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.
登録日2014-06-10
公開日2014-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 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
1DMX
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MURINE MITOCHONDRIAL CARBONIC ANYHDRASE V AT 2.45 ANGSTROMS RESOLUTION
分子名称: MURINE CARBONIC ANHYDRASE V, ZINC ION
著者Boriack-Sjodin, P.A, Christianson, D.W.
登録日1995-10-04
公開日1996-04-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure determination of murine mitochondrial carbonic anhydrase V at 2.45-A resolution: implications for catalytic proton transfer and inhibitor design.
Proc.Natl.Acad.Sci.USA, 92, 1995
1DMY
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COMPLEX BETWEEN MURINE MITOCHONDRIAL CARBONIC ANYHDRASE V AND THE TRANSITION STATE ANALOGUE ACETAZOLAMIDE
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, MURINE CARBONIC ANHYDRASE V, ZINC ION
著者Boriack-Sjodin, P.A, Christianson, D.W.
登録日1995-10-04
公開日1996-04-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure determination of murine mitochondrial carbonic anhydrase V at 2.45-A resolution: implications for catalytic proton transfer and inhibitor design.
Proc.Natl.Acad.Sci.USA, 92, 1995
1EOU
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE
分子名称: CARBONIC ANHYDRASE II (CA II), SULFAMIC ACID 2,3-O-(1-METHYLETHYLIDENE)-4,5-O-SULFONYL-BETA-FRUCTOPYRANOSE ESTER, ZINC ION
著者Recacha, R, Costanzo, M.J, Maryanoff, B.E, Chattopadhyay, D.
登録日2000-03-24
公開日2002-02-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human carbonic anhydrase II complexed with an anti-convulsant sugar sulphamate.
Biochem.J., 361, 2002
8IGF
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Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution
分子名称: (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I.
登録日2023-02-20
公開日2024-02-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification, crystallization, and first X-ray structure analyses of phenyl boronic acid-based inhibitors of human carbonic anhydrase-II.
Int.J.Biol.Macromol., 267, 2024
8J2O
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Crystal Structure of Human Carbonic Anhydrase II In-complex with Acetohexamide at 2.6 A Resolution
分子名称: 1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea, Carbonic anhydrase 2, SULFATE ION, ...
著者Rasheed, S, Huda, N, Choudhary, M.I.
登録日2023-04-14
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Human Carbonic Anhydrase II In-complex with Acetohexamide at 2.6 A Resolution
To Be Published
8OGD
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Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ...
著者Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
登録日2023-03-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
8OGE
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Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ...
著者Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
登録日2023-03-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
8OGF
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Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide
分子名称: 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2023-03-20
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.321 Å)
主引用文献Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide
To Be Published
2X7T
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Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors.
分子名称: (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L.
登録日2010-03-03
公開日2010-03-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
2X7U
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Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors.
分子名称: (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L.
登録日2010-03-03
公開日2010-03-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
7M26
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Human carbonic anhydrase II in complex with pioglitazone
分子名称: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
著者Mueller, S.L, Peat, T.S.
登録日2021-03-16
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7M24
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Human carbonic anhydrase II in complex with (R)-rosiglitazone
分子名称: (R)-ROSIGLITAZONE, Carbonic anhydrase 2, ZINC ION
著者Mueller, S.L, Peat, T.S.
登録日2021-03-16
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7M23
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Human carbonic anhydrase II in complex with troglitazone
分子名称: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION
著者Mueller, S.L, Peat, T.S.
登録日2021-03-16
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7MU3
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human carbonic anhydrase 9 mimic with compound
分子名称: Carbonic anhydrase 2, GLYCEROL, IMIDAZOLE, ...
著者Peat, T.S.
登録日2021-05-14
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Privileged scaffolds in medicinal chemistry: Studies on pyrazolo[1,5-a]pyrimidines on sulfonamide containing Carbonic Anhydrase inhibitors.
Bioorg.Med.Chem.Lett., 49, 2021
2ZNC
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MURINE CARBONIC ANHYDRASE IV
分子名称: CARBONIC ANHYDRASE IV, ZINC ION
著者Stams, T, Chen, Y, Christianson, D.W.
登録日1998-02-10
公開日1999-03-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
7NC4
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Crystal structure of human carbonic anhydrase VII (hCA VII) in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative.
分子名称: 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2021-01-28
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII.
Bioorg.Med.Chem., 44, 2021
7NH6
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Crystal structure of human carbonic anhydrase II with 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide
分子名称: 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-02-10
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.
J.Med.Chem., 64, 2021
7NH8
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Crystal structure of human carbonic anhydrase II with N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide
分子名称: Carbonic anhydrase 2, N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2021-02-10
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.369 Å)
主引用文献Synthesis of Azasugar-Sulfonamide conjugates and their Evaluation as Inhibitors of Carbonic Anhydrases: the Azasugar Approach to Selectivity
Eur.J.Org.Chem., 2021
7NG1
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Crystal structure of alpha Carbonic anhydrase from Schistoso ma mansoni bound to 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]selenourea
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, GLYCEROL, ...
著者Ferraroni, M, Angeli, A, Supuran, C.T.
登録日2021-02-08
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7NEX
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Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulfamoylph enyl)thiourea
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, ...
著者Ferraroni, M, Angeli, A, Supuran, C.T.
登録日2021-02-05
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7NTB
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Crystal structure of human carbonic anhydrase with a benzophenone-derivative
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION, ...
著者Di Fiore, A, De Simone, G.
登録日2021-03-09
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interaction Studies between Carbonic Anhydrase and a Sulfonamide Inhibitor by Experimental and Theoretical Approaches
Acs Med.Chem.Lett., 13, 2022
7NWY
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Crystal structure of alpha carbonic anhydrase from schistosoma mansoni with 4-(3-(4-fluorophenyl)ureido)benzenesulfonamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase, ...
著者Angeli, A, Ferraroni, M.
登録日2021-03-17
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021

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