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5W8B
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BU of 5w8b by Molmil
Carbonic anhydrase II in complex with activating histamine pyridinium derivative
Descriptor: 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Bhatt, A, Ilies, M, McKenna, R.
Deposit date:2017-06-21
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal Structure of Carbonic Anhydrase II in Complex with an Activating Ligand: Implications in Neuronal Function.
Mol. Neurobiol., 55, 2018
6ZR8
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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
Descriptor: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G, D'Ambrosio, K.
Deposit date:2020-07-11
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
6ZR9
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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
Descriptor: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 7, ZINC ION
Authors:D'Ambrosio, K, De Simone, G, Di Fiore, A.
Deposit date:2020-07-11
Release date:2021-06-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
8Q0C
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BU of 8q0c by Molmil
Human carbonic anhydrase II containing 3-fluorotyrosine
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
Authors:Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
Deposit date:2023-07-28
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
7BI5
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BU of 7bi5 by Molmil
Human CA II in complex with benzyl alcohol
Descriptor: Carbonic anhydrase 2, ZINC ION, phenylmethanol
Authors:Alterio, V, De Simone, G.
Deposit date:2021-01-12
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Benzyl alcohol inhibits carbonic anhydrases by anchoring to the zinc coordinated water molecule.
Biochem.Biophys.Res.Commun., 548, 2021
7BFA
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BU of 7bfa by Molmil
4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-01-02
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7BG5
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BU of 7bg5 by Molmil
4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-01-05
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.428 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
8Q18
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BU of 8q18 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q19
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BU of 8q19 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q1A
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BU of 8q1a by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor
Descriptor: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
7BM4
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BU of 7bm4 by Molmil
Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulphamoylphenyl)selenourea
Descriptor: 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ...
Authors:Ferraroni, M, Angeli, A, Supuran, C.T.
Deposit date:2021-01-19
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7BHH
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BU of 7bhh by Molmil
4-(2-(3-(4-iodophenyl)selenoureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-01-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
8SD6
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BU of 8sd6 by Molmil
Carbonic anhydrase II radiation damage RT 31-60
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD9
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BU of 8sd9 by Molmil
Carbonic anhydrase II radiation damage RT 121-150
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SAG
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BU of 8sag by Molmil
Carbonic anhydrase II in complex with the coumarin benzene sulfonamide SG1-57
Descriptor: 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Carbonic anhydrase II in complex with novel coumarin benzene sulfonamides
To Be Published
8SAF
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BU of 8saf by Molmil
CA II in complex with the coumarin benzene sulfonamide SG1-51
Descriptor: 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:CA in complex with novel coumarin benzene sulfonamides
To Be Published
8R1I
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BU of 8r1i by Molmil
Human Carbonic Anhydrase II (hCAII) in complex with (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
Descriptor: (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Kotschy, J, Gasper, R, Linser, R.
Deposit date:2023-11-02
Release date:2023-12-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein.
Angew.Chem.Int.Ed.Engl., 63, 2024
7CA2
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BU of 7ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1991-07-09
Release date:1992-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
7ASJ
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BU of 7asj by Molmil
Crystal structure for the complex of human carbonic anhydrase II and 3-(3-methyl-3-phenethylureido)benzenesulfonamide
Descriptor: 3-(3-methyl-3-phenethylureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2020-10-27
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
7A6V
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BU of 7a6v by Molmil
Human Carbonic Anhydrase II in complex with 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide
Descriptor: 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2020-08-26
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Calixarenes Incorporating Sulfonamide Moieties: Versatile Ligands for Carbonic Anhydrases Inhibition.
Chemistry, 28, 2022
7AEQ
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BU of 7aeq by Molmil
Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide
Descriptor: 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ...
Authors:Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2020-09-18
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
7AES
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BU of 7aes by Molmil
Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide
Descriptor: 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ...
Authors:Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2020-09-18
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
7AGN
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BU of 7agn by Molmil
Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide
Descriptor: 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide, BICINE, SODIUM ION, ...
Authors:Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2020-09-23
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
8SD8
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BU of 8sd8 by Molmil
Carbonic anhydrase II radiation damage RT 91-120
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD7
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BU of 8sd7 by Molmil
Carbonic anhydrase II radiation damage RT 61-90
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024

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