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5NXP	Carbonic Anhydrase II Inhibitor RA7 Descriptor: 2-[methyl(phenyl)amino]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION Authors: Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. Deposit date: 2017-05-10 Release date: 2018-01-17 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
6NJ5	Thermostable variant of human carbonic anhydrase II with disordered tetrazine 2.0 at site 233 Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Kean, K.M, Karplus, P.A. Deposit date: 2019-01-02 Release date: 2019-10-02 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Immobilization of Proteins with Controlled Load and Orientation. ACS Appl Mater Interfaces, 11, 2019
2FOQ	Human Carbonic Anhydrase II complexed with two-prong inhibitors Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... Authors: Jude, K.M, Christianson, D.W. Deposit date: 2006-01-13 Release date: 2006-02-28 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity. J.Am.Chem.Soc., 128, 2006
3S71	The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase Descriptor: 1-benzofuran-2-sulfonamide, Carbonic anhydrase 2, ZINC ION Authors: Snyder, P.W, Heroux, A, Whitesides, G.W. Deposit date: 2011-05-26 Release date: 2011-10-19 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc.Natl.Acad.Sci.USA, 108, 2011
6YOK	Para-Carborane di-propyl-sulfonamide in complex with CA IX mimic Descriptor: Carbonic anhydrase 2, Para-Carborane di-propyl-sulfonamide, ZINC ION Authors: Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. Deposit date: 2020-04-14 Release date: 2020-08-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
6YHA	Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide Descriptor: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Carbonic anhydrase 2, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2020-03-28 Release date: 2021-04-07 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10, 2021
6RG4	Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzyl-4-methylpiperazin-1-yl)benzenesulfonamide Descriptor: 4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Ferraroni, M, Angeli, A, Supuran, C. Deposit date: 2019-04-16 Release date: 2020-05-13 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors. Bioorg.Chem., 91, 2019
5YUJ	CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION Authors: Kim, C.U, Park, S.Y, McKenna, R. Deposit date: 2017-11-22 Release date: 2018-08-01 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7Y2M	apo-Carbonic Anhydrase II soaked in 3NPA after UV at 140 K Descriptor: Carbonic anhydrase 2 Authors: Kim, C.U, Kim, J.K. Deposit date: 2022-06-09 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Temperature series of human Carbonic Anhydrase II with photolysis of caged CO2 To Be Published
7Y2L	apo-Carbonic Anhydrase II soaked in 3NPA after UV at 120 K Descriptor: Carbonic anhydrase 2 Authors: Kim, C.U, Kim, J.K. Deposit date: 2022-06-09 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Temperature series of human Carbonic Anhydrase II with photolysis of caged CO2 To Be Published
7Y2O	apo-Carbonic Anhydrase II soaked in 3NPA after UV at 180 K Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2 Authors: Kim, C.U, Kim, J.K. Deposit date: 2022-06-09 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Temperature series of human Carbonic Anhydrase II with photolysis of caged CO2 To Be Published
7Y2N	apo-Carbonic Anhydrase II soaked in 3NPA after UV at 160 K Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2 Authors: Kim, C.U, Kim, J.K. Deposit date: 2022-06-09 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Temperature series of human Carbonic Anhydrase II with photolysis of caged CO2 To Be Published
7Y2J	apo-Carbonic Anhydrase II soaked in 3NPA before UV at 90 K Descriptor: Carbonic anhydrase 2 Authors: Kim, C.U, Kim, J.K. Deposit date: 2022-06-09 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Temperature series of human Carbonic Anhydrase II with photolysis of caged CO2 To Be Published
7Y2K	apo-Carbonic Anhydrase II soaked in 3NPA after UV at 90 K Descriptor: Carbonic anhydrase 2 Authors: Kim, C.U, Kim, J.K. Deposit date: 2022-06-09 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Temperature series of human Carbonic Anhydrase II with photolysis of caged CO2 To Be Published
6OUD	Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-694B Descriptor: 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Kota, A, McKenna, R. Deposit date: 2019-05-04 Release date: 2020-05-06 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.256 Å) Cite: Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-694B To Be Published
3GZ0	Apo-human carbonic anhydrase II revisited: Implications of the loss of a metal in protein structure, stability and solvent network Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Avvaru, B.S, McKenna, R. Deposit date: 2009-04-06 Release date: 2009-07-21 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Apo-Human Carbonic Anhydrase II Revisited: Implications of the Loss of a Metal in Protein Structure, Stability, and Solvent Network . Biochemistry, 48, 2009
6SDS	HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... Authors: Alterio, V, De Simone, G, Esposito, D. Deposit date: 2019-07-29 Release date: 2020-06-10 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. J.Med.Chem., 63, 2020
5WEX	Discovery of new selenoureido analogs of 4-(4-fluorophenylureido) benzenesulfonamides as carbonic anhydrase inhibitors Descriptor: 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Angeli, A, Tanini, D, Peat, T.S, Di Cesare Mannelli, L, Bartolucci, G, Capperucci, A, Ghelardini, C, Supuran, C.T, Carta, F. Deposit date: 2017-07-10 Release date: 2017-10-11 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett, 8, 2017
5U0E	Identification of a New Zinc Binding Chemotype by Fragment Screening Descriptor: (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ... Authors: Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. Deposit date: 2016-11-23 Release date: 2017-08-30 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.27 Å) Cite: Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
4Z1J	Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) Descriptor: 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION Authors: Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. Deposit date: 2015-03-27 Release date: 2015-08-26 Method: X-RAY DIFFRACTION (1.27 Å) Cite: Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. Eur.J.Med.Chem., 102, 2015
5SZ5	Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide Descriptor: 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. Deposit date: 2016-08-12 Release date: 2016-12-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.274 Å) Cite: Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
6RQQ	X-ray crystal structure of protiated (H) large monoclinic unit cell CA IX SV. Descriptor: Carbonic anhydrase 9, FORMIC ACID, ZINC ION Authors: Fisher, Z, Koruza, K. Deposit date: 2019-05-16 Release date: 2019-09-11 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.276 Å) Cite: Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX. Acta Crystallogr D Struct Biol, 75, 2019
7QNV	human carbonic anhydrase II bound to 3-methylbenzoselenoate Descriptor: 3-methylbenzoselenoate, Carbonic anhydrase 2, GLYCEROL, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2021-12-22 Release date: 2023-01-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.278 Å) Cite: Benzoselenoates: A novel class of carbonic anhydrase inhibitors. Bioorg.Chem., 122, 2022
5G0C	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
6YHC	Crystal structure of chimeric carbonic anhydrase XII with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Descriptor: 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2020-03-28 Release date: 2021-04-07 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.28 Å) Cite: Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10, 2021

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