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7Y2U	Ni-Carbonic Anhydrase II complexed with 3NPA after UV at 140 K Descriptor: 2-(3-NITROPHENYL)ACETIC ACID, Carbonic anhydrase 2, NICKEL (II) ION Authors: Kim, C.U, Kim, J.K. Deposit date: 2022-06-09 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Temperature series of human Carbonic Anhydrase II with photolysis of caged CO2 To Be Published
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
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
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
7Y2G	Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 160 K Descriptor: BICARBONATE ION, 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 (1.2 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
7Y2I	Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 200 K Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Kim, C.U, Kim, J.K. Deposit date: 2022-06-09 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Temperature series of human Carbonic Anhydrase II with photolysis of caged CO2 To Be Published
7Y2W	Ni-Carbonic Anhydrase II complexed with 3NPA after UV at 180 K Descriptor: 2-(3-NITROPHENYL)ACETIC ACID, Carbonic anhydrase 2, NICKEL (II) ION Authors: Kim, C.U, Kim, J.K. Deposit date: 2022-06-09 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.2 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
7Y2Q	apo-Carbonic Anhydrase II soaked in 3NPA after UV at 200 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 (1.35 Å) Cite: Temperature series of human Carbonic Anhydrase II with photolysis of caged CO2 To Be Published
7Y2E	Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 120 K Descriptor: 3-NITROTOLUENE, Carbonic anhydrase 2, ZINC ION Authors: Kim, C.U, Kim, J.K. Deposit date: 2022-06-09 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Temperature series of human Carbonic Anhydrase II with photolysis of caged CO2 To Be Published
8CO3	Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide Descriptor: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 12, ZINC ION Authors: Leitans, J, Dvinskis, E, Tars, K. Deposit date: 2023-02-26 Release date: 2023-12-13 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect. J.Med.Chem., 66, 2023
8CO0	Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide Descriptor: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... Authors: Leitans, J, Tars, K. Deposit date: 2023-02-25 Release date: 2023-12-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect. J.Med.Chem., 66, 2023
8R1I	Human Carbonic Anhydrase II (hCAII) in complex with (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide Descriptor: (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ZINC ION Authors: Kotschy, J, Gasper, R, Linser, R. Deposit date: 2023-11-02 Release date: 2023-12-06 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein. Angew.Chem.Int.Ed.Engl., 63, 2024
8BOE	Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2022-11-15 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide To Be Published
8BJX	Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2022-11-08 Release date: 2023-11-22 Method: X-RAY DIFFRACTION (1.283 Å) Cite: Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide To Be Published
8Q18	The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide Descriptor: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... Authors: Leitans, J, Tars, K. Deposit date: 2023-07-31 Release date: 2023-11-08 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX. Chemmedchem, 18, 2023
8Q19	The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide Descriptor: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... Authors: Leitans, J, Tars, K. Deposit date: 2023-07-31 Release date: 2023-11-08 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.63 Å) Cite: Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX. Chemmedchem, 18, 2023
8Q1A	The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor Descriptor: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... Authors: Leitans, J, Tars, K. Deposit date: 2023-07-31 Release date: 2023-11-08 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX. Chemmedchem, 18, 2023
8EM3	Carbonic Anhydrase II in complex with the diaryl urea molecule J2 Descriptor: 4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION Authors: Combs, J, McKenna, R. Deposit date: 2022-09-26 Release date: 2023-09-27 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Prospective Diaryl urea: Prevent growth of breast cancer cells by inhibition and down-regulation of Carbonic Anhydrase IX. To Be Published
8Q3U	Crystal structure of a fentanyl derivative in complex with human CA VII Descriptor: Carbonic anhydrase 7, GLYCEROL, ZINC ION, ... Authors: Alterio, V, Di Fiore, A, De Simone, G. Deposit date: 2023-08-04 Release date: 2023-09-20 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Discovery of a novel series of potent carbonic anhydrase inhibitors with selective affinity for mu Opioid receptor for Safer and long-lasting analgesia. Eur.J.Med.Chem., 260, 2023
8DPO	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
8CR0	Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor Descriptor: 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Alterio, V, De Simone, G, Esposito, D. Deposit date: 2023-03-07 Release date: 2023-06-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.22 Å) Cite: 6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography. J.Med.Chem., 66, 2023
7ZWB	human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide Descriptor: 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION Authors: Angeli, A, Ferraroni, M. Deposit date: 2022-05-19 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.48 Å) Cite: human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide To Be Published
8AAE	CAII in complex with para-carboran-propylsulfonamid Descriptor: Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION Authors: Brynda, J, Rezacova, P. Deposit date: 2022-07-01 Release date: 2023-05-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.15 Å) Cite: B-H⋯ pi and C-H⋯ pi interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Phys Chem Chem Phys, 25, 2023

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