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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
Descriptor: 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, ...
Authors:Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R.
Deposit date:2020-04-28
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.304 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R.
Deposit date:2020-04-28
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.305 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R.
Deposit date:2020-04-28
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.405 Å)
Cite: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
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
5HPJ
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BU of 5hpj by Molmil
Photobacterium profundum alpha-carbonic anhydrase
Descriptor: CHLORIDE ION, Carbonic anhydrase, ZINC ION
Authors:Somalinga, V, Buhrman, G.
Deposit date:2016-01-20
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A High-Resolution Crystal Structure of a Psychrohalophilic alpha-Carbonic Anhydrase from Photobacterium profundum Reveals a Unique Dimer Interface.
PLoS ONE, 11, 2016
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
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
Descriptor: 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
Deposit date:2020-02-04
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
5G0C
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BU of 5g0c by Molmil
An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C
Descriptor: CARBONIC ANHYDRASE 2, ETHANOL, SODIUM ION, ...
Authors:Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A.
Deposit date:2016-03-17
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
5FNL
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BU of 5fnl by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance, and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
6XVH
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BU of 6xvh by Molmil
carbonic anhydrase with bound arylsulfonamide- boronic acid
Descriptor: (4-sulfamoylphenyl)boronic acid, Carbonic anhydrase 2, ZINC ION
Authors:Perez, C, Zhang, B.
Deposit date:2020-01-22
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An easy to assemble, fully modulable, selectiv and colorimetric artificial bio-sensor for fingerprintting the recognition of neurotransmitters
To Be Published
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
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
Descriptor: 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, ...
Authors:Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R.
Deposit date:2020-04-28
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.304 Å)
Cite: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
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
Descriptor: 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, F, Supuran, C.T.
Deposit date:2020-02-05
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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
Descriptor: 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
Deposit date:2020-02-05
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
5JES
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BU of 5jes by Molmil
Human carbonic anhydrase II (V121T) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.205 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5IPZ
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BU of 5ipz by Molmil
Crystal structure of human carbonic anhydrase isozyme IV with 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzenesulfonamide
Descriptor: 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide, Carbonic anhydrase 4, ZINC ION
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2016-03-10
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
5JEG
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BU of 5jeg by Molmil
Human carbonic anhydrase II (V121I) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JEP
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BU of 5jep by Molmil
Human carbonic anhydrase II (T199S) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
2QO8
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BU of 2qo8 by Molmil
Crystal structure of the complex of hcaii with an indane-sulfonamide inhibitor
Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2007-07-20
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Carbonic Anhydrase Inhibitors: Binding of Indanesulfonamides to the Human Isoform II.
Chemmedchem, 3, 2007
8DPO
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BU of 8dpo by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ...
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-07-15
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
To Be Published
2QP6
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BU of 2qp6 by Molmil
The crystal structure of the complex of hcaII with a bioreductive antitumor derivative
Descriptor: 2-chloro-5-nitrobenzenesulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2007-07-23
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Carbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides with Selectivity for Targeting the Tumor Associated Isoforms IX and XII.
J.Med.Chem., 51, 2008
8EXG
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BU of 8exg by Molmil
Human Carbonic Anhydrase II bound N-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethyl)-4-sulfamoylbenzamide
Descriptor: (4S)-5-amino-4-{1,3-dioxo-4-[(2-{2-[2-(4-sulfamoylbenzamido)ethoxy]ethoxy}ethyl)amino]-1,3-dihydro-2H-isoindol-2-yl}-5-oxopentanoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Kohlbrand, A.J, O'Herin, C.B.
Deposit date:2022-10-25
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023
8EXC
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BU of 8exc by Molmil
Human Carbonic Anhydrase II bound tert-butyl (3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamate
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide, ...
Authors:Kohlbrand, A.J, O'Herin, C.B.
Deposit date:2022-10-25
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023
8EMU
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BU of 8emu by Molmil
Human Carbonic Anhydrase II Heterobifunctional Degraders
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(2-methoxyethyl)-4-sulfamoylbenzamide, ...
Authors:Kohlbrand, A.J, O'Herin, C.B.
Deposit date:2022-09-28
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 66, 2023
8EYL
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BU of 8eyl by Molmil
Human Carbonic Anhydrase II with Tert-butyl (2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethyl)carbamate
Descriptor: 2-[[(2~{R})-1-azanyl-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]-6-[2-[2-[(4-sulfamoylphenyl)carbonylamino]ethoxy]ethylamino]benzoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Kohlbrand, A.J, O'Herin, C.B.
Deposit date:2022-10-27
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023

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