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PDB: 1335 件
3MHM
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Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
分子名称: 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-04-08
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3MNK
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Human Carbonic Anhydrase II Mutant K170H
分子名称: Carbonic anhydrase 2, SODIUM ION, ZINC ION
著者Domsic, J.F, McKenna, R.
登録日2010-04-21
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II.
Biochemistry, 49, 2010
3M96
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Crystal structure of human carbonic anhydrase isozyme II with 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
分子名称: 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-20
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.
Bioorg.Med.Chem., 18, 2010
3KOI
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Crystal structure of cobalt (III) human carbonic anhydrase II at pH 6.0
分子名称: COBALT (III) ION, Carbonic anhydrase 2
著者Avvaru, B.S.
登録日2009-11-13
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
3KON
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BU of 3kon by Molmil
Crystal structure of cobalt (II) human carbonic anhydrase II at pH 11.0
分子名称: COBALT (II) ION, Carbonic anhydrase 2
著者Avvaru, B.S.
登録日2009-11-13
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
3KS3
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High resolution structure of Human Carbonic Anhydrase II at 0.9 A
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Avvaru, B.S.
登録日2009-11-20
公開日2010-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献A short, strong hydrogen bond in the active site of human carbonic anhydrase II.
Biochemistry, 49, 2010
3MHL
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BU of 3mhl by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
分子名称: 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-04-08
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3N2P
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BU of 3n2p by Molmil
Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor
分子名称: 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R.
登録日2010-05-18
公開日2011-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.648 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
3MZC
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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
3L14
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BU of 3l14 by Molmil
Human Carbonic Anhydrase II complexed with Althiazide
分子名称: 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
著者Quirit, J.G, Robbins, A, Genis, C, Tu, C, Silverman, D.N, McKenna, R.
登録日2009-12-10
公開日2011-01-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献The Promiscuous Nature of Althiazide in Adducts with CA II and CA IX Mimic
To be Published
3MWO
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Human carbonic anhydrase II in a doubled monoclinic cell: a re-determination
分子名称: Carbonic anhydrase 2, ZINC ION
著者Robbins, A.H, McKenna, R.
登録日2010-05-06
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Emerging from pseudo-symmetry: the redetermination of human carbonic anhydrase II in monoclinic P2(1) with a doubled a axis.
Acta Crystallogr.,Sect.D, 66, 2010
3N4B
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BU of 3n4b by Molmil
Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor
分子名称: 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R.
登録日2010-05-21
公開日2011-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 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
3N0N
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BU of 3n0n by Molmil
Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor
分子名称: 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R.
登録日2010-05-14
公開日2011-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 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
3MYQ
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BU of 3myq by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-05-11
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.
Bioorg.Med.Chem., 18, 2010
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
3MNH
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BU of 3mnh by Molmil
Human Carbonic Anhydrase II Mutant K170A
分子名称: Carbonic anhydrase 2, SODIUM ION, ZINC ION
著者Domsic, J.F, McKenna, R.
登録日2010-04-21
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II.
Biochemistry, 49, 2010
3M1W
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BU of 3m1w by Molmil
Carbonic Anhyrdase II mutant W5CH64C with closed disulfide bond in complex with sulfate
分子名称: Carbonic anhydrase 2, SULFATE ION, 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 (1.38 Å)
主引用文献Mutational Study on Carbonic Anhydrase II
To be Published
3M40
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BU of 3m40 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
分子名称: 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-10
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3M5T
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BU of 3m5t by Molmil
Fragment tethered to Carbonic Anhydrase II H64C mutant
分子名称: 3,3-diphenyl-N-(2-sulfanylethyl)propanamide, CARBONATE ION, Carbonic anhydrase 2, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-13
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment screening on Carbonic Anhydrase II via Tethering approach
To be Published
3MNJ
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Human Carbonic Anhydrase II Mutant K170E
分子名称: Carbonic anhydrase 2, SODIUM ION, ZINC ION
著者Domsic, J.F, McKenna, R.
登録日2010-04-21
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II.
Biochemistry, 49, 2010
3MNU
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BU of 3mnu by Molmil
Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron containing aromatic sulfamide with mammalian isoforms I-XV
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Di Fiore, A, De Simone, G.
登録日2010-04-22
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV.
Bioorg.Med.Chem.Lett., 20, 2010
3NB5
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BU of 3nb5 by Molmil
Human carbonic anhydrase II in complex with 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide
分子名称: 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Hofmann, A, Osman, A, Davis, R.A.
登録日2010-06-02
公開日2011-04-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases
J.Med.Chem., 54, 2011
3NI5
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Carbonic anhydrase inhibitor: C1 family
分子名称: 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T.
登録日2010-06-15
公開日2011-06-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action
Bioorg.Med.Chem.Lett., 21, 2011
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
3M2N
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Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
分子名称: 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-08
公開日2011-02-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012

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件を2024-08-07に公開中

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