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PDB: 1337 件
3W6I
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BU of 3w6i by Molmil
Crystal structure of 19F probe-labeled hCAI
分子名称: 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, Carbonic anhydrase 1, ZINC ION
著者Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I.
登録日2013-02-14
公開日2013-03-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR
To be published
6WQ4
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BU of 6wq4 by Molmil
Carbonic Anhydrase II Complexed with 2-((2-Cyanoethyl)(phenethyl)amino)-N-phenethyl-N-(4-sulfamoylphenethyl)acetamide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ...
著者Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R.
登録日2020-04-28
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
6WQ5
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BU of 6wq5 by Molmil
Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
著者Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R.
登録日2020-04-28
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.304 Å)
主引用文献Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
6WQ9
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BU of 6wq9 by Molmil
Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ...
著者Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R.
登録日2020-04-28
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.305 Å)
主引用文献Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
6WQ8
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BU of 6wq8 by Molmil
Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ...
著者Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R.
登録日2020-04-28
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.405 Å)
主引用文献Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
6WKA
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BU of 6wka by Molmil
human carbonic anhydrase II bound to an inhibitor modified with azidothymidine
分子名称: 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine, Carbonic anhydrase 2, ZINC ION
著者Peat, T.S.
登録日2020-04-15
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Azidothymidine "Clicked" into 1,2,3-Triazoles: First Report on Carbonic Anhydrase-Telomerase Dual-Hybrid Inhibitors.
J.Med.Chem., 63, 2020
6XZE
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BU of 6xze by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
登録日2020-02-04
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
6XZS
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BU of 6xzs by Molmil
Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, F, Supuran, C.T.
登録日2020-02-05
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
6XZY
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BU of 6xzy by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
登録日2020-02-05
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
6YKH
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BU of 6ykh by Molmil
Metala-Carborane di-ethyl-sulfonamide (cis isomer) in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Metala-Carborane di-ethyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-06
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 86, 2021
6YMB
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BU of 6ymb by Molmil
MicroED structure of human carbonic anhydrase II
分子名称: ZINC ION, carbonic anhydrase 2
著者Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H.
登録日2020-04-08
公開日2020-08-12
最終更新日2024-01-24
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献Visualizing drug binding interactions using microcrystal electron diffraction.
Commun Biol, 3, 2020
6XZX
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BU of 6xzx by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
登録日2020-02-05
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
6Y00
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BU of 6y00 by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
登録日2020-02-05
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
6YOI
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BU of 6yoi by Molmil
Meta-Carborane di-propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Meta-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 (1.2 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
6YO7
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BU of 6yo7 by Molmil
Ortho-Carborane di-propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Ortho-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 (1.17 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
6YQT
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BU of 6yqt by Molmil
CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH A SULFONAMIDE DERIVATIVE OF 2-MERCAPTOBENZOXAZOLE
分子名称: 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Alterio, V, De Simone, G, Esposito, D.
登録日2020-04-18
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site.
Chem.Commun.(Camb.), 56, 2020
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
6XXT
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BU of 6xxt by Molmil
The crystal structure of hCA II in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative.
分子名称: 4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2020-01-28
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Looking toward the Rim of the Active Site Cavity of Druggable Human Carbonic Anhydrase Isoforms.
Acs Med.Chem.Lett., 11, 2020
6YMA
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BU of 6yma by Molmil
MicroED structure of acetazolamide-bound human carbonic anhydrase II
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H.
登録日2020-04-08
公開日2020-08-12
最終更新日2024-01-24
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献Visualizing drug binding interactions using microcrystal electron diffraction.
Commun Biol, 3, 2020
6XZO
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BU of 6xzo by Molmil
Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-bromo-2-hydroxybenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
登録日2020-02-05
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
6WQ7
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BU of 6wq7 by Molmil
Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
著者Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R.
登録日2020-04-28
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.304 Å)
主引用文献Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
6Y74
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BU of 6y74 by Molmil
X-ray crystal structure of human carbonic anhydrase IX catalytic domain.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
著者Fisher, S.Z, Koruza, K.
登録日2020-02-28
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Biophysical Characterization of Cancer-Related Carbonic Anhydrase IX
Int J Mol Sci, 21, 2020
6XWZ
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BU of 6xwz by Molmil
Carbonic Anhydrase II-mediated hydrolysis of selenolester
分子名称: GLYCEROL, ZINC ION, benzeneselenol, ...
著者Angeli, A, Feraroni, M.
登録日2020-01-24
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Selenolesterase enzyme activity of carbonic anhydrases
Chem.Commun.(Camb.), 2020
6XVH
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BU of 6xvh by Molmil
carbonic anhydrase with bound arylsulfonamide- boronic acid
分子名称: (4-sulfamoylphenyl)boronic acid, Carbonic anhydrase 2, ZINC ION
著者Perez, C, Zhang, B.
登録日2020-01-22
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An easy to assemble, fully modulable, selectiv and colorimetric artificial bio-sensor for fingerprintting the recognition of neurotransmitters
To Be Published
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

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件を2024-09-11に公開中

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