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6YRI
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BU of 6yri by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX OF HCAII WITH CAFFEIC ACID
Descriptor: CAFFEIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2020-04-20
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Catechols: a new class of carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 56, 2020
3NJ9
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BU of 3nj9 by Molmil
Crystal structure of carbonic anhydrase II in complex with a Nir inhibitor
Descriptor: 3-(4-sulfamoylphenyl)-N-[6-({(6Z)-2-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethyl]-6-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Temperini, C, Cecchi, A.
Deposit date:2010-06-17
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of carbonic anhydrase II in complex with a Nir inhibitor
To be Published
1LG5
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BU of 1lg5 by Molmil
Crystal Structure Analysis of the HCA II Mutant T199P in complex with beta-mercaptoethanol
Descriptor: BETA-MERCAPTOETHANOL, Carbonic anhydrase II, ZINC ION
Authors:Huang, S, Sjoblom, B, Sauer-Eriksson, A.E, Jonsson, B.-H.
Deposit date:2002-04-15
Release date:2002-07-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Organization of an efficient carbonic anhydrase: implications for the mechanism based on structure-function studies of a T199P/C206S mutant.
Biochemistry, 41, 2002
1LGD
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BU of 1lgd by Molmil
Crystal Structure Analysis of HCA II Mutant T199P in Complex with Bicarbonate
Descriptor: BICARBONATE ION, Carbonic anhydrase II, ZINC ION
Authors:Huang, S, Sjoblom, B, Sauer-Eriksson, A.E, Jonsson, B.-H.
Deposit date:2002-04-15
Release date:2002-07-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Organization of an efficient carbonic anhydrase: implications for the mechanism based on structure-function studies of a T199P/C206S mutant.
Biochemistry, 41, 2002
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.
Descriptor: 4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2020-01-28
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Looking toward the Rim of the Active Site Cavity of Druggable Human Carbonic Anhydrase Isoforms.
Acs Med.Chem.Lett., 11, 2020
4QY3
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BU of 4qy3 by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH AN ORTHO-SUBSTITUTED BENZOIC ACID
Descriptor: 2-[(S)-benzylsulfinyl]benzoic acid, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2014-07-23
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Out of the active site binding pocket for carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 51, 2014
4PXX
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BU of 4pxx by Molmil
Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II
Descriptor: CHOLIC ACID, Carbonic anhydrase 2, MAGNESIUM ION, ...
Authors:Boone, C.D, Habibzadegan, A, McKenna, R.
Deposit date:2014-03-25
Release date:2015-06-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II
TO BE PUBLISHED
4RH2
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BU of 4rh2 by Molmil
Crystal structure of human carbonic anhydrase II in complex with 2-(6-hydroxy-3-Oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1h-[1,2,3]triazol-4-ylmethyl-thioureido}-benzoic acid
Descriptor: 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M.
Deposit date:2014-10-01
Release date:2015-11-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:New classes of carbonic anhydrase inhibitors
to be published
6IVE
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BU of 6ive by Molmil
Molecular structure of a thermostable and a Zinc ion binding gamma-class carbonic anhydrase
Descriptor: Ferripyochelin-binding protein, PHOSPHATE ION, ZINC ION
Authors:Wang, W.M, Wang, H.F.
Deposit date:2018-12-03
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular structure of thermostable and zinc-ion-binding gamma-class carbonic anhydrases.
Biometals, 32, 2019
3QYK
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BU of 3qyk by Molmil
Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor
Descriptor: 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Aggarwal, M, McKenna, R.
Deposit date:2011-03-03
Release date:2012-03-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.469 Å)
Cite:Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor
To be Published
3Q31
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BU of 3q31 by Molmil
Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, D-MALATE, ...
Authors:Cuesta-Seijo, J.A, Borchert, M.S, Navarro-Poulsen, J.C, Schnorr, K.M, Leggio, L.L.
Deposit date:2010-12-21
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae
To be Published
6RMX
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BU of 6rmx by Molmil
Human Carbonic anhydrase II mutant T199V bound by 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
Descriptor: 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S.
Deposit date:2019-05-07
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Human Carbonic anhydrase II mutant T199V bound by 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To Be Published
6ROF
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BU of 6rof by Molmil
Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
Descriptor: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S.
Deposit date:2019-05-12
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To Be Published
6SYB
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BU of 6syb by Molmil
Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Descriptor: (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2019-09-27
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
To Be Published
6SX9
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BU of 6sx9 by Molmil
Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Descriptor: 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2019-09-25
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
To Be Published
6RVF
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BU of 6rvf by Molmil
Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-phenyl
Descriptor: 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G.
Deposit date:2019-05-31
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
6RMY
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BU of 6rmy by Molmil
Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S.
Deposit date:2019-05-07
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
To Be Published
6RPS
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BU of 6rps by Molmil
X-ray crystal structure of carbonic anhydrase XII complexed with a theranostic monoclonal antibody fragment
Descriptor: ACETATE ION, CADMIUM ION, CHLORIDE ION, ...
Authors:Alterio, V, Esposito, D, De Simone, G.
Deposit date:2019-05-14
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Biochemical and Structural Insights into Carbonic Anhydrase XII/Fab6A10 Complex.
J.Mol.Biol., 431, 2019
6RFH
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BU of 6rfh by Molmil
Human Carbonic Anhydrase II in complex with 4-Carboxybenzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-sulfamoylbenzoic acid, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-04-15
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.969 Å)
Cite:Human Carbonic Anhydrase II in complex with 4-Carboxybenzenesulfonamide
To Be Published
6RW1
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BU of 6rw1 by Molmil
Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)-
Descriptor: 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G.
Deposit date:2019-06-03
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
6RG5
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BU of 6rg5 by Molmil
Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.089 Å)
Cite:Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide
To Be Published
6RIG
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BU of 6rig by Molmil
Human Carbonic Anhydrase II in complex with 4-Hydroxybenzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-oxidanylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-04-24
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.999 Å)
Cite:Human Carbonic Anhydrase II in complex with 4-Hydroxybenzenesulfonamide
To Be Published
6SDH
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BU of 6sdh by Molmil
Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Gloeckner, S, Haake, M, Heine, A, Klebe, G.
Deposit date:2019-07-27
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM
To Be Published
6SBM
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BU of 6sbm by Molmil
Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentoxybenzenesulfonamide, CITRATE ANION, ...
Authors:Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
Deposit date:2019-07-21
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide
To Be Published
6SFU
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BU of 6sfu by Molmil
Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-08-02
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide
To Be Published

223790

数据于2024-08-14公开中

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