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BU of 6h38 by Molmil

The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide.
分子名称:	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
著者	Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日	2018-07-17
公開日	2018-12-19
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018

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BU of 6h36 by Molmil

The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
分子名称:	4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION
著者	Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日	2018-07-17
公開日	2018-12-19
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018

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BU of 6h37 by Molmil

The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide
分子名称:	4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION
著者	Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日	2018-07-17
公開日	2018-12-19
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018

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BU of 6h2z by Molmil

The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
分子名称:	4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者	Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日	2018-07-17
公開日	2018-12-19
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.94 Å)
主引用文献	Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018

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BU of 6h33 by Molmil

The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide.
分子名称:	4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者	Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日	2018-07-17
公開日	2018-12-19
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.58 Å)
主引用文献	Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018

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BU of 6h34 by Molmil

The crystal structure of human carbonic anhydrase II in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide.
分子名称:	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者	Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
登録日	2018-07-17
公開日	2018-12-19
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.55 Å)
主引用文献	Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018

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BU of 6g4t by Molmil

The crystal structure of uninhibited C183S/C217S mutant of human CA VII
分子名称:	Carbonic anhydrase 7, ZINC ION
著者	Di Fiore, A, D'Ambrosio, K, De Simone, G.
登録日	2018-03-28
公開日	2018-06-06
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.91 Å)
主引用文献	The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior. Int J Mol Sci, 19, 2018

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BU of 4x5s by Molmil

The crystal structure of an alpha carbonic anhydrase from the extremophilic bacterium Sulfurihydrogenibium azorense.
分子名称:	3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase (Carbonate dehydratase), ...
著者	De Simone, G, Alterio, V, Di Fiore, A.
登録日	2014-12-05
公開日	2015-05-20
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense. Bioorg.Med.Chem.Lett., 25, 2015

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BU of 6y04 by Molmil

Crystal structure of beta-carbonic anhydrase isoform I (TvaCA1) from the Trichomonas vaginalis protozoan.
分子名称:	Carbonic anhydrase, ZINC ION
著者	Di Fiore, A, De Simone, G.
登録日	2020-02-06
公開日	2020-07-08
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (2.48 Å)
主引用文献	Biochemical and structural characterisation of a protozoan beta-carbonic anhydrase fromTrichomonas vaginalis. J Enzyme Inhib Med Chem, 35, 2020

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BU of 7p1a by Molmil

Carbonic Anhydrase VII Sultam Based Inhibitors
分子名称:	4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
著者	D'Ambrosio, K, De Simone, G.
登録日	2021-07-01
公開日	2021-11-17
実験手法	X-RAY DIFFRACTION (1.58 Å)
主引用文献	Sultam based Carbonic Anhydrase VII inhibitors for the management of neuropathic pain. Eur.J.Med.Chem., 227, 2021

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BU of 7zw9 by Molmil

Crystal structure of a gamma-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei
分子名称:	BETA-MERCAPTOETHANOL, Bacterial transferase hexapeptide family protein, ZINC ION
著者	Di Fiore, A, De Simone, G.
登録日	2022-05-19
公開日	2022-09-07
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Biochemical, structural, and computational studies of a gamma-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei. Comput Struct Biotechnol J, 20, 2022

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BU of 4lu3 by Molmil

The crystal structure of the human carbonic anhydrase XIV
分子名称:	5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 14, GLYCEROL, ...
著者	Alterio, V, De Simone, G, Monti, S.M.
登録日	2013-07-24
公開日	2014-01-01
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	The structural comparison between membrane-associated human carbonic anhydrases provides insights into drug design of selective inhibitors. Biopolymers, 101, 2014

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BU of 6sdt by Molmil

HUMAN CARBONIC ANHYDRASE VII IN COMPLEX WITH A SULFONAMIDE INHIBITOR
分子名称:	Carbonic anhydrase 7, ZINC ION, phenyl-(4-sulfamoylphenoxy)phosphinic acid
著者	Alterio, V, De Simone, G, Esposito, D.
登録日	2019-07-29
公開日	2020-06-10
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.94 Å)
主引用文献	Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. J.Med.Chem., 63, 2020

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BU of 6sds by Molmil

HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR
分子名称:	Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者	Alterio, V, De Simone, G, Esposito, D.
登録日	2019-07-29
公開日	2020-06-10
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.26 Å)
主引用文献	Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. J.Med.Chem., 63, 2020

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BU of 4qy3 by Molmil

THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH AN ORTHO-SUBSTITUTED BENZOIC ACID
分子名称:	2-[(S)-benzylsulfinyl]benzoic acid, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ...
著者	D'Ambrosio, K, De Simone, G.
登録日	2014-07-23
公開日	2014-12-03
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Out of the active site binding pocket for carbonic anhydrase inhibitors. Chem.Commun.(Camb.), 51, 2014

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BU of 6zr8 by Molmil

The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II
分子名称:	2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
著者	Di Fiore, A, De Simone, G, D'Ambrosio, K.
登録日	2020-07-11
公開日	2021-06-16
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.79 Å)
主引用文献	The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development New J.Chem., 45, 2021

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BU of 6zr9 by Molmil

The crystal structure of the complex of hCAVII with 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
分子名称:	2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 7, ZINC ION
著者	D'Ambrosio, K, De Simone, G, Di Fiore, A.
登録日	2020-07-11
公開日	2021-06-16
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development New J.Chem., 45, 2021

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BU of 7bez by Molmil

Zinc bound domain 3 of carbonic anhydrase from marine diatom Thalassiosira weissflogii
分子名称:	Cadmium-specific carbonic anhydrase, ZINC ION
著者	Alterio, V, De Simone, G.
登録日	2021-01-06
公開日	2021-07-14
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.981 Å)
主引用文献	Zeta-carbonic anhydrases show CS 2 hydrolase activity: A new metabolic carbon acquisition pathway in diatoms? Comput Struct Biotechnol J, 19, 2021

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BU of 7bf0 by Molmil

Zn-bound domain 3 of CDCA1 in complex with carbon dioxide
分子名称:	CARBON DIOXIDE, CHLORIDE ION, Cadmium-specific carbonic anhydrase, ...
著者	Alterio, V, De Simone, G.
登録日	2020-12-30
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	Zeta-carbonic anhydrases show CS 2 hydrolase activity: A new metabolic carbon acquisition pathway in diatoms? Comput Struct Biotechnol J, 19, 2021

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