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6S03
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Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379
分子名称: 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2019-06-13
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
6RZX
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BU of 6rzx by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA
分子名称: 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2019-06-13
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
1HVA
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BU of 1hva by Molmil
ENGINEERING THE ZINC BINDING SITE OF HUMAN CARBONIC ANHYDRASE II: STRUCTURE OF THE HIS-94-> CYS APOENZYME IN A NEW CRYSTALLINE FORM
分子名称: CARBONIC ANHYDRASE II
著者Alexander, R.S, Christianson, D.W.
登録日1992-10-27
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering the zinc binding site of human carbonic anhydrase II: structure of the His-94-->Cys apoenzyme in a new crystalline form.
Biochemistry, 32, 1993
6QN2
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BU of 6qn2 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 9, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
著者Leitans, J, Tars, K.
登録日2019-02-08
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN0
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BU of 6qn0 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 12, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
著者Dvinskis, E, Leitans, J, Tars, K.
登録日2019-02-08
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
1BNU
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BU of 1bnu by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNM
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BU of 1bnm by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: (R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
6QNL
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BU of 6qnl by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 12, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
著者Dvinskis, E, Leitans, J, Tars, K.
登録日2019-02-11
公開日2020-03-04
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN6
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BU of 6qn6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 9, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
著者Leitans, J, Tars, K.
登録日2019-02-09
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
1BNT
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BU of 1bnt by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BN3
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BU of 1bn3 by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-31
公開日1999-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNN
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BU of 1bnn by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNQ
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BU of 1bnq by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: (R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-METHOYLETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNV
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BU of 1bnv by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: (S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-02-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1CNY
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BU of 1cny by Molmil
SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE, ...
著者Boriack, P.A, Christianson, D.W.
登録日1995-07-21
公開日1995-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Secondary interactions significantly removed from the sulfonamide binding pocket of carbonic anhydrase II influence inhibitor binding constants.
J.Med.Chem., 38, 1995
1ZSB
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BU of 1zsb by Molmil
CARBONIC ANHYDRASE II MUTANT E117Q, TRANSITION STATE ANALOGUE ACETAZOLAMIDE
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1996-01-09
公開日1996-07-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reversal of the hydrogen bond to zinc ligand histidine-119 dramatically diminishes catalysis and enhances metal equilibration kinetics in carbonic anhydrase II.
Biochemistry, 35, 1996
1CAL
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BU of 1cal by Molmil
STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S.
登録日1992-09-17
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II.
Proteins, 17, 1993
1DCA
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BU of 1dca by Molmil
STRUCTURE OF AN ENGINEERED METAL BINDING SITE IN HUMAN CARBONIC ANHYDRASE II REVEALS THE ARCHITECTURE OF A REGULATORY CYSTEINE SWITCH
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Ippolito, J.A, Christianson, D.W.
登録日1992-12-18
公開日1993-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of an engineered His3Cys zinc binding site in human carbonic anhydrase II.
Biochemistry, 32, 1993
1DCB
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BU of 1dcb by Molmil
STRUCTURE OF AN ENGINEERED METAL BINDING SITE IN HUMAN CARBONIC ANHYDRASE II REVEALS THE ARCHITECTURE OF A REGULATORY CYSTEINE SWITCH
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Ippolito, J.A, Christianson, D.W.
登録日1993-03-10
公開日1993-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of an engineered His3Cys zinc binding site in human carbonic anhydrase II.
Biochemistry, 32, 1993
1CVB
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BU of 1cvb by Molmil
STRUCTURAL AND FUNCTIONAL IMPORTANCE OF A CONSERVED HYDROGEN BOND NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION
著者Ippolito, J.A, Christianson, D.W.
登録日1993-02-04
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional importance of a conserved hydrogen bond network in human carbonic anhydrase II.
J.Biol.Chem., 268, 1993
3UK8
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BU of 3uk8 by Molmil
The crystal structure of the cd-bound domain 3 of the cadmium carbonic anhydrase from marine diatom Thalassiosira weissflogii
分子名称: ACETATE ION, CADMIUM ION, Cadmium-specific carbonic anhydrase
著者Alterio, V, De Simone, G.
登録日2011-11-09
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii.
Biochimie, 94, 2012
1H9Q
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BU of 1h9q by Molmil
H119Q CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1997-05-29
公開日1997-09-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
1H9N
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H119N CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1997-05-29
公開日1997-09-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
1CAI
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BU of 1cai by Molmil
STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION
著者Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S.
登録日1992-09-17
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II.
Proteins, 17, 1993
1CAK
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BU of 1cak by Molmil
STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION
著者Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S.
登録日1992-09-17
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II.
Proteins, 17, 1993

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