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PDB: 1334 件
1RZC
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X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES
分子名称: CARBONIC ANHYDRASE II, COPPER (II) ION, OXYGEN MOLECULE
著者Hakansson, K, Wehnert, A, Liljas, A.
登録日1993-05-25
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
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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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
5CLU
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THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH A SACCHARINE DERIVATIVE
分子名称: (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者D'Ambrosio, K, De Simone, G.
登録日2015-07-16
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases.
Chemistry, 22, 2016
1KWQ
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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
1TBT
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BU of 1tbt by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
分子名称: Carbonic anhydrase II, ZINC ION
著者Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
登録日2004-05-20
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II.
Biochemistry, 44, 2005
1TH9
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Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
分子名称: Carbonic anhydrase II, SULFATE ION, ZINC ION
著者Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
登録日2004-06-01
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
4ZWX
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Engineered Carbonic Anhydrase IX mimic in complex with glucosyl sulfamate inhibitor
分子名称: (1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-D-allitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R.
登録日2015-05-19
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates.
J.Med.Chem., 58, 2015
8R1I
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Human Carbonic Anhydrase II (hCAII) in complex with (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
分子名称: (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ZINC ION
著者Kotschy, J, Gasper, R, Linser, R.
登録日2023-11-02
公開日2023-12-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein.
Angew.Chem.Int.Ed.Engl., 63, 2024
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
5C8I
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Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide
分子名称: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION
著者Aggarwal, M, Kovalevsky, A.Y, Fisher, S.Z, McKenna, R.
登録日2015-06-25
公開日2016-07-20
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION
主引用文献Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug.
IUCrJ, 3, 2016
1IF4
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Carbonic Anhydrase II Complexed With 4-fluorobenzenesulfonamide
分子名称: 4-FLUOROBENZENESULFONAMIDE, Carbonic Anhydrase II, MERCURY (II) ION, ...
著者Kim, C.-Y, Christianson, D.W.
登録日2001-04-12
公開日2001-05-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Binding of Fluorine Substituted Benzenesulfonamides to Carbonic Anhydrase II
To be Published
5BNL
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BU of 5bnl by Molmil
Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins
分子名称: (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Maresca, A, Pochet, L, Masereel, B, Scozzafava, A, Supuran, C.T.
登録日2015-05-26
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins.
J.Med.Chem., 53, 2010
5BRU
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BU of 5bru by Molmil
Catalytic Improvement of an Artificial Metalloenzyme by Computational Design
分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION, ...
著者Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R.
登録日2015-06-01
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
5AMD
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BU of 5amd by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-((2-Phenylethyl)sulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5BYI
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Human carbonic anhydrase II with an azobenzene inhibitor (1d)
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Groll, M, Broichhagen, J.
登録日2015-06-10
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Azobenzene-based inhibitors of human carbonic anhydrase II.
Beilstein J Org Chem, 11, 2015
1LGD
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BU of 1lgd by Molmil
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
1V9I
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Crystal Structure Analysis of the site specific mutant (Q253C) of bovine carbonic anhydrase II
分子名称: Carbonic anhydrase II, ZINC ION
著者Saito, R, Sato, T, Ikai, A, Tanaka, N.
登録日2004-01-26
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal Structure Analysis of the site specific mutant (Q253C) of bovine carbonic anhydrase II
To be Published
1RJ6
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Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase XIV in Complex with Acetazolamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase XIV, ...
著者Whittington, D.A, Grubb, J.H, Waheed, A, Shah, G.N, Sly, W.S, Christianson, D.W.
登録日2003-11-18
公開日2004-03-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Expression, assay, and structure of the extracellular domain of murine carbonic anhydrase XIV: implications for selective inhibition of membrane-associated isozymes.
J.Biol.Chem., 279, 2004
1JD0
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CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN CARBONIC ANHYDRASE XII COMPLEXED WITH ACETAZOLAMIDE
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE XII, ZINC ION
著者Whittington, D.A, Waheed, A, Ulmasov, B, Shah, G.N, Grubb, J.H, Sly, W.S, Christianson, D.W.
登録日2001-06-11
公開日2001-08-17
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the dimeric extracellular domain of human carbonic anhydrase XII, a bitopic membrane protein overexpressed in certain cancer tumor cells.
Proc.Natl.Acad.Sci.USA, 98, 2001
5AML
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Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
1KEQ
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Crystal Structure of F65A/Y131C Carbonic Anhydrase V, covalently modified with 4-chloromethylimidazole
分子名称: 4-METHYLIMIDAZOLE, ACETIC ACID, F65A/Y131C-MI Carbonic Anhydrase V, ...
著者Jude, K.M, Wright, S.K, Tu, C, Silverman, D.N, Viola, R.E, Christianson, D.W.
登録日2001-11-16
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of F65A/Y131C-methylimidazole carbonic anhydrase V reveals architectural features of an engineered proton shuttle.
Biochemistry, 41, 2002
1URT
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MURINE CARBONIC ANHYDRASE V
分子名称: CARBONIC ANHYDRASE V, ZINC ION
著者Boriack-Sjodin, P.A, Christianson, D.W.
登録日1996-07-03
公開日1997-01-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design of an intramolecular proton transfer site in murine carbonic anhydrase V.
Biochemistry, 35, 1996
1I9M
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CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001
1I9N
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CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001

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