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6SYS
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BU of 6sys by Molmil
Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
Descriptor: (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2019-10-01
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
To Be Published
7QRK
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BU of 7qrk by Molmil
Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide
Descriptor: Carbonic anhydrase 2, GLYCEROL, N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-01-11
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.428 Å)
Cite:Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide
To Be Published
7QSE
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BU of 7qse by Molmil
human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-01-13
Release date:2023-01-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.428 Å)
Cite:human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide
To Be Published
7QBH
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BU of 7qbh by Molmil
Selenocarbamates as a novel prodrug-based approach towards Carbonic Anhydrase inhibition (hCA II)
Descriptor: Carbonic anhydrase 2, ZINC ION, phenylmethaneselenol
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-11-19
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.223 Å)
Cite:Selenocarbamates As a Prodrug-Based Approach to Carbonic Anhydrase Inhibition.
Chemmedchem, 17, 2022
7QZX
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BU of 7qzx by Molmil
Human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
Descriptor: 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-02-01
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
7R1X
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BU of 7r1x by Molmil
human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Descriptor: 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-02-03
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
6WKA
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BU of 6wka by Molmil
human carbonic anhydrase II bound to an inhibitor modified with azidothymidine
Descriptor: 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine, Carbonic anhydrase 2, ZINC ION
Authors:Peat, T.S.
Deposit date:2020-04-15
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Azidothymidine "Clicked" into 1,2,3-Triazoles: First Report on Carbonic Anhydrase-Telomerase Dual-Hybrid Inhibitors.
J.Med.Chem., 63, 2020
6XWZ
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BU of 6xwz by Molmil
Carbonic Anhydrase II-mediated hydrolysis of selenolester
Descriptor: GLYCEROL, ZINC ION, benzeneselenol, ...
Authors:Angeli, A, Feraroni, M.
Deposit date:2020-01-24
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Selenolesterase enzyme activity of carbonic anhydrases
Chem.Commun.(Camb.), 2020
7QVQ
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BU of 7qvq by Molmil
Human telomeric DNA G-quadruplex of a gold(III) complex containing the 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine ligand
Descriptor: 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex, POTASSIUM ION, human telomeric DNA
Authors:Bazzicalupi, C, Ryde, U, Gratteri, P, Bergmann, J.
Deposit date:2022-01-23
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
7RNZ
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BU of 7rnz by Molmil
Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative
Descriptor: 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide, AZIDE ION, Carbonic anhydrase 2, ...
Authors:Combs, J, McKenna, R.
Deposit date:2021-07-30
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 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
7RNY
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BU of 7rny by Molmil
Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative
Descriptor: 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J, McKenna, R.
Deposit date:2021-07-30
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.29 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
2AEO
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BU of 2aeo by Molmil
Crystal structure of cisplatinated bovine Cu,Zn superoxide dismutase
Descriptor: COPPER (II) ION, Cisplatin, Superoxide dismutase [Cu-Zn], ...
Authors:Calderone, V, Casini, A, Mangani, S, Messori, L, Orioli, P.L.
Deposit date:2005-07-23
Release date:2006-05-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural investigation of cisplatin-protein interactions: selective platination of His19 in a cuprozinc superoxide dismutase.
Angew. Chem. Int. Ed. Engl., 45, 2006
6H5R
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BU of 6h5r by Molmil
Structure of the complex of a human telomeric DNA with bis(1-butyl-3-methyl-imidazole-2-ylidene) gold(I)
Descriptor: Human Telomeric DNA, POTASSIUM ION, STRONTIUM ION, ...
Authors:Bazzicalupi, C, Gratteri, P, Papi, F.
Deposit date:2018-07-25
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction of a gold(i) dicarbene anticancer drug with human telomeric DNA G-quadruplex: solution and computationally aided X-ray diffraction analysis.
Dalton Trans, 47, 2018
1C82
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BU of 1c82 by Molmil
MECHANISM OF HYALURONAN BINDING AND DEGRADATION: STRUCTURE OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE IN COMPLEX WITH HYALURONIC ACID DISACCHARIDE AT 1.7 A RESOLUTION
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, HYALURONATE LYASE, ...
Authors:Ponnuraj, K, Jedrzejas, M.J.
Deposit date:2000-04-05
Release date:2001-04-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of hyaluronan binding and degradation: structure of Streptococcus pneumoniae hyaluronate lyase in complex with hyaluronic acid disaccharide at 1.7 A resolution.
J.Mol.Biol., 299, 2000
1OJM
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BU of 1ojm by Molmil
SPECIFICITY AND MECHANISM OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE: COMPLEX WITH UNSULPHATED CHONDROITIN DISACCHARIDE
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, HYALURONATE LYASE, SULFATE ION
Authors:Rigden, D.J, Jedrzejas, M.J.
Deposit date:2003-07-11
Release date:2003-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structures of Streptococcus Pneumoniae Hyaluronate Lyase in Complex with Chondroitin and Chondroitin Sulfate Disaccharides: Insights Into Specificity and Mechanism of Action
J.Biol.Chem., 278, 2003
1OJP
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BU of 1ojp by Molmil
SPECIFICITY AND MECHANISM OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE: COMPLEX WITH 6-SULPHATED CHONDROITIN DISACCHARIDE
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose, HYALURONATE LYASE, SULFATE ION
Authors:Rigden, D.J, Jedrzejas, M.J.
Deposit date:2003-07-11
Release date:2003-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Streptococcus Pneumoniae Hyaluronate Lyase in Complex with Chondroitin and Chondroitin Sulfate Disaccharides: Insights Into Specificity and Mechanism of Action
J.Biol.Chem., 278, 2003
1OJN
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BU of 1ojn by Molmil
SPECIFICITY AND MECHANISM OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE: COMPLEX OF THE TYR408PHE MUTANT WITH 6-SULPHATED CHONDROITIN DISACCHARIDE
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose, HYALURONATE LYASE, SULFATE ION
Authors:Rigden, D.J, Jedrzejas, M.J.
Deposit date:2003-07-11
Release date:2003-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of Streptococcus Pneumoniae Hyaluronate Lyase in Complex with Chondroitin and Chondroitin Sulfate Disaccharides: Insights Into Specificity and Mechanism of Action
J.Biol.Chem., 278, 2003
1OJO
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BU of 1ojo by Molmil
SPECIFICITY AND MECHANISM OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE: COMPLEX OF THE TYR408PHE MUTANT WITH 4-SULPHATED CHONDROITIN DISACCHARIDE
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, HYALURONATE LYASE, SULFATE ION
Authors:Rigden, D.J, Jedrzejas, M.J.
Deposit date:2003-07-11
Release date:2003-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of Streptococcus Pneumoniae Hyaluronate Lyase in Complex with Chondroitin and Chondroitin Sulfate Disaccharides: Insights Into Specificity and Mechanism of Action
J.Biol.Chem., 278, 2003

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