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4MTY
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BU of 4mty by Molmil
Structure at 1A resolution of a helical aromatic foldamer-protein complex.
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ogayone, T, Buratto, J, Langlois D'Estaintot, B, Stupfel, M, Granier, T, Gallois, B, Huc, Y.
Deposit date:2013-09-20
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 a resolution.
Angew.Chem.Int.Ed.Engl., 53, 2014
4KUV
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BU of 4kuv by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-chlorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor
Descriptor: 5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
Authors:Ferraroni, M.
Deposit date:2013-05-22
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:New classes of carbonic anhydrase inhibitors
to be published
4L5W
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BU of 4l5w by Molmil
Structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Boone, C.D, Gill, S, McKenna, R.
Deposit date:2013-06-11
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
4KUW
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BU of 4kuw by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-fluorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor
Descriptor: 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
Authors:Ferraroni, M.
Deposit date:2013-05-22
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:New classes of carbonic anhydrase inhibitors
to be published
4N16
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BU of 4n16 by Molmil
Structure of cholate bound to human carbonic anhydrase II
Descriptor: CHOLIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Boone, C.D, McKenna, R.
Deposit date:2013-10-03
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural elucidation of the hormonal inhibition mechanism of the bile acid cholate on human carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 70, 2014
4N0X
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BU of 4n0x by Molmil
Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide
Descriptor: Carbonic anhydrase 2, ZINC ION, thiophene-2-sulfonamide
Authors:Fisher, S.Z, Williams, R.F.
Deposit date:2013-10-02
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide
To be Published
4MO8
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BU of 4mo8 by Molmil
The crystal structure of the human carbonic anhydrase II in complex with N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide
Descriptor: Carbonic anhydrase 2, N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2013-09-11
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hypoxia-Targeting Carbonic Anhydrase IX Inhibitors by a New Series of Nitroimidazole-Sulfonamides/Sulfamides/Sulfamates.
J.Med.Chem., 56, 2013
7YWT
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BU of 7ywt by Molmil
human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
Descriptor: (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-02-14
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.106 Å)
Cite:Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
7YZH
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BU of 7yzh by Molmil
Schistosoma Mansoni Carbonic Anhydrase in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-02-20
Release date:2023-03-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
6KLZ
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BU of 6klz by Molmil
Human Carbonic Anhydrase II V143I variant 00 atm CO2
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Kim, J.K.
Deposit date:2019-07-30
Release date:2020-08-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
6KM5
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BU of 6km5 by Molmil
Human Carbonic Anhydrase II native 13 atm CO2
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Kim, J.K.
Deposit date:2019-07-30
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.151 Å)
Cite:Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
6T9Z
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BU of 6t9z by Molmil
Nidocarborane inhibitor of Carbonic Anhydrase IX
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, Nidocarborane, ...
Authors:Brynda, J, Rezacova, P, Kugler, M, Gruner, B.
Deposit date:2019-10-29
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX.
Eur.J.Med.Chem., 200, 2020
6T7U
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BU of 6t7u by Molmil
Carborane inhibitor of Carbonic Anhydrase IX
Descriptor: Carbonic anhydrase 2, Carborane inhibitor, ZINC ION
Authors:Brynda, J, Rezacova, P, Kugler, M, Gruner, B.
Deposit date:2019-10-23
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX.
Eur.J.Med.Chem., 200, 2020
6T81
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BU of 6t81 by Molmil
Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide.
Descriptor: AZIDE ION, BICINE, SODIUM ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-23
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6KM3
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BU of 6km3 by Molmil
Human Carbonic Anhydrase II native 00 atm CO2
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Kim, J.K.
Deposit date:2019-07-30
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
6TL6
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BU of 6tl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: Carbonic anhydrase 9, GLYCEROL, ZINC ION, ...
Authors:Leitans, J, Tars, K.
Deposit date:2019-12-01
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
3IGP
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BU of 3igp by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Gitto, R, Agnello, S, Brynda, J, Mader, P, Supuran, C.T, Chimirri, A.
Deposit date:2009-07-28
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of 3,4-Dihydroisoquinoline-2(1H)-sulfonamides as Potent Carbonic Anhydrase Inhibitors: Synthesis, Biological Evaluation, and Enzyme-Ligand X-ray Studies.
J.Med.Chem., 2010
4CNW
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BU of 4cnw by Molmil
Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
Descriptor: CALCIUM ION, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
Deposit date:2014-01-25
Release date:2015-02-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
5AMG
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BU of 5amg by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(Pentylsulfamoyl)-4-sulfamoylbenzoic acid
Descriptor: 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-03-10
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
6KM0
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BU of 6km0 by Molmil
Human Carbonic Anhydrase II V143I variant 07 atm CO2
Descriptor: BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ...
Authors:Kim, C.U, Kim, J.K.
Deposit date:2019-07-30
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
4CNX
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BU of 4cnx by Molmil
Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
Descriptor: CARBONIC ANHYDRASE 2, DI(HYDROXYETHYL)ETHER, ZINC ION
Authors:Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
Deposit date:2014-01-25
Release date:2015-02-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
4CNV
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BU of 4cnv by Molmil
Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
Descriptor: CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION
Authors:Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
Deposit date:2014-01-25
Release date:2015-02-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
3IBL
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BU of 3ibl by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2009-07-16
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
3IBI
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BU of 3ibi by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic sulfamate inhibitor
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2009-07-16
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
5BRV
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BU of 5brv by Molmil
Catalytic Improvement of an Artificial Metalloenzyme by Computational Design
Descriptor: Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride
Authors:Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R.
Deposit date:2015-06-01
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015

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數據於2024-10-16公開中

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