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6YO2
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BU of 6yo2 by Molmil
Meta-Carborane propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Meta-Carborane propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
6YO4
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BU of 6yo4 by Molmil
Para-Carborane propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
6YOK
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BU of 6yok by Molmil
Para-Carborane di-propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Para-Carborane di-propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
6YJ3
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BU of 6yj3 by Molmil
Metala-Carborane di-propyl-sulfonamide
分子名称: Carbonic anhydrase 2, Metala-Carborane di-propyl-sulfonamide, ZINC ION
著者Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M.
登録日2020-04-02
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 86, 2021
3KWD
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BU of 3kwd by Molmil
Inactive truncation of the beta-carboxysomal gamma-Carbonic Anhydrase, CcmM, form 1
分子名称: CHLORIDE ION, Carbon dioxide concentrating mechanism protein, ZINC ION
著者Pena, K.L, Kimber, M.S, Castel, S.E.
登録日2009-12-01
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KWC
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BU of 3kwc by Molmil
Oxidized, active structure of the beta-carboxysomal gamma-Carbonic Anhydrase, CcmM
分子名称: CHLORIDE ION, Carbon dioxide concentrating mechanism protein, ISOPROPYL ALCOHOL, ...
著者Kimber, M.S, Castel, S.E, Pena, K.L.
登録日2009-12-01
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KWE
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BU of 3kwe by Molmil
Inactive truncation of the beta-carboxysomal gamma-Carbonic Anhydrase, CcmM, form 2
分子名称: CHLORIDE ION, Carbon dioxide concentrating mechanism protein, HEXANE-1,6-DIOL, ...
著者Kimber, M.S, Castel, S.E, Pena, K.L.
登録日2009-12-01
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M1Q
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BU of 3m1q by Molmil
Carbonic Anhydrase II mutant W5C-H64C with opened disulfide bond
分子名称: Carbonic anhydrase 2, ZINC ION
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-05
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Mutational study on Carbonic Anhydrase II
To be Published
3MZC
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BU of 3mzc by Molmil
Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor
分子名称: 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R.
登録日2010-05-12
公開日2011-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency.
Chem.Commun.(Camb.), 46, 2010
3ML2
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BU of 3ml2 by Molmil
Human carbonic anhydsase II in complex with an aryl sulfonamide inhibitor
分子名称: 2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R.
登録日2010-04-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations.
Bioorg.Med.Chem., 18, 2010
1DMX
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BU of 1dmx by Molmil
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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BU of 1dmy by Molmil
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
3V3J
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BU of 3v3j by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
分子名称: 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 (1.63 Å)
主引用文献Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
3U7C
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BU of 3u7c by Molmil
crystal structure of the V143I mutant of human carbonic anhydrase II
分子名称: BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ...
著者West, D.M, Kim, C.U, Robbins, A.H, Mckenna, R.
登録日2011-10-13
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献crystal structure of the V143I mutant of human carbonic anhydrase II
To be Published
1MUA
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BU of 1mua by Molmil
STRUCTURE AND ENERGETICS OF A NON-PROLINE CIS-PEPTIDYL LINKAGE IN AN ENGINEERED PROTEIN
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Nair, S.K, Christianson, D.W.
登録日1993-06-18
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and energetics of a non-proline cis-peptidyl linkage in a proline-202-->alanine carbonic anhydrase II variant.
Biochemistry, 32, 1993
4GL1
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BU of 4gl1 by Molmil
Structure of H64A/N62L/N67L Human Carbonic Anhydrase II triple mutant
分子名称: Carbonic anhydrase 2, ZINC ION
著者West, D.M.
登録日2012-08-13
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydrophobicity and low pKa impact catalytic efficiency of Human Carbonic Anhydrases
To be Published
2WEJ
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BU of 2wej by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
7U5W
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BU of 7u5w by Molmil
Crystal Structure Analysis of human Carbonic anhydrase 2
分子名称: Carbonic anhydrase 2, ZINC ION
著者Seo, H.-S, Dhe-Paganon, S.
登録日2022-03-02
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal Structure Analysis of human Carbonic anhydrase 2
To Be Published
7U5X
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BU of 7u5x by Molmil
Crystal Structure Analysis of human Carbonic anhydrase 2
分子名称: Carbonic anhydrase 2, ZINC ION
著者Seo, H.-S, Dhe-Paganon, S.
登録日2022-03-02
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Crystal Structure Analysis of human Carbonic anhydrase 2
To Be Published
6LAC
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BU of 6lac by Molmil
The structural basis of the beta-carbonic anhydrase CafD (C39A mutant) of the filamentous fungus Aspergillus fumigatus
分子名称: Carbonic anhydrase, ZINC ION
著者Jiin, M.S, Kim, S, Kim, N.J, Hong, S, Kim, S, Sung, J.
登録日2019-11-12
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The structural analysis of non-catalytic zinc binding site in the minor beta-carbonic anhydrase CafD
To be published
3ZP9
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BU of 3zp9 by Molmil
Human Carbonic Anhydrase II as a Scaffold for an Artificial Transfer Hydrogenase
分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Heinisch, T, Schirmer, T.
登録日2013-02-27
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Human Carbonic Anhydrase II as Host Protein for the Creation of Artificial Metalloenzymes: The Asymmetric Transfer Hydrogenation of Imines
Chem.Sci., 4, 2013
6UZU
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BU of 6uzu by Molmil
Carbonic Anhydrase IX-mimic In Complex WITH U-CH3
分子名称: 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者McKenna, R, Mboge, M.Y, Mahon, B.P.
登録日2019-11-15
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure activity study of carbonic anhydrase IX: Selective inhibition with ureido-substituted benzenesulfonamides.
Eur J Med Chem, 132, 2017
3M1J
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BU of 3m1j by Molmil
The crystal structure of a NAMI A-Carbonic Anhydrase II adduct discloses the mode of action of this novel anticancer metallodrug
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, IMIDAZOLE, ...
著者Temperini, C, Messori, L.
登録日2010-03-05
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The x-ray structure of the adduct between NAMI-A and carbonic anhydrase provides insights into the reactivity of this metallodrug with proteins
Chemmedchem, 5, 2010
3M14
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BU of 3m14 by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U.
登録日2010-03-04
公開日2011-05-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published
3M04
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BU of 3m04 by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ZINC ION, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U.
登録日2010-03-02
公開日2011-05-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published

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件を2024-07-17に公開中

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