1I9N
| CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W. | Deposit date: | 2001-03-20 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. J.Am.Chem.Soc., 123, 2001
|
|
1I9P
| CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W. | Deposit date: | 2001-03-20 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. J.Am.Chem.Soc., 123, 2001
|
|
1I9L
| CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W. | Deposit date: | 2001-03-20 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. J.Am.Chem.Soc., 123, 2001
|
|
1I9O
| CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W. | Deposit date: | 2001-03-20 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. J.Am.Chem.Soc., 123, 2001
|
|
1I9Q
| CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W. | Deposit date: | 2001-03-20 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. J.Am.Chem.Soc., 123, 2001
|
|
1IF6
| |
1IF8
| Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide | Descriptor: | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | Deposit date: | 2001-04-12 | Release date: | 2001-05-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme. Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
1IF9
| Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE, ... | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | Deposit date: | 2001-04-12 | Release date: | 2001-05-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme. Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
1IF7
| Carbonic Anhydrase II Complexed 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 II, MERCURY (II) ION, ... | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | Deposit date: | 2001-04-12 | Release date: | 2001-05-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme. Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
1IF5
| |
1IF4
| |
1J9W
| Solution Structure of the CAI Michigan 1 Variant | Descriptor: | 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, ZINC ION | Authors: | Briganti, F, Ferraroni, M, Chedwiggen, W.R, Scozzafava, A, Supuran, C.T, Tilli, S. | Deposit date: | 2001-05-29 | Release date: | 2001-06-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination. Biochemistry, 41, 2002
|
|
1JD0
| CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN CARBONIC ANHYDRASE XII COMPLEXED WITH ACETAZOLAMIDE | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE XII, ZINC ION | Authors: | Whittington, D.A, Waheed, A, Ulmasov, B, Shah, G.N, Grubb, J.H, Sly, W.S, Christianson, D.W. | Deposit date: | 2001-06-11 | Release date: | 2001-08-17 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the dimeric extracellular domain of human carbonic anhydrase XII, a bitopic membrane protein overexpressed in certain cancer tumor cells. Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
1JCZ
| CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN CARBONIC ANHYDRASE XII | Descriptor: | ACETIC ACID, CARBONIC ANHYDRASE XII, ZINC ION | Authors: | Whittington, D.A, Waheed, A, Ulmasov, B, Shah, G.N, Grubb, J.H, Sly, W.S, Christianson, D.W. | Deposit date: | 2001-06-11 | Release date: | 2001-08-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of the dimeric extracellular domain of human carbonic anhydrase XII, a bitopic membrane protein overexpressed in certain cancer tumor cells. Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
1JV0
| THE CRYSTAL STRUCTURE OF THE ZINC(II) ADDUCT OF THE CAI MICHIGAN 1 VARIANT | Descriptor: | 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, CHLORIDE ION, ... | Authors: | Briganti, F, Ferraroni, M, Chegwidden, W.R, Scozzafava, A, Supuran, C.T, Tilli, S. | Deposit date: | 2001-08-28 | Release date: | 2001-09-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination Biochemistry, 41, 2002
|
|
1KEQ
| Crystal Structure of F65A/Y131C Carbonic Anhydrase V, covalently modified with 4-chloromethylimidazole | Descriptor: | 4-METHYLIMIDAZOLE, ACETIC ACID, F65A/Y131C-MI Carbonic Anhydrase V, ... | Authors: | Jude, K.M, Wright, S.K, Tu, C, Silverman, D.N, Viola, R.E, Christianson, D.W. | Deposit date: | 2001-11-16 | Release date: | 2002-03-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of F65A/Y131C-methylimidazole carbonic anhydrase V reveals architectural features of an engineered proton shuttle. Biochemistry, 41, 2002
|
|
1KWR
| HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 0134-36 | Descriptor: | 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE, Carbonic anhydrase II, ZINC ION | Authors: | Grueneberg, S, Stubbs, M.T. | Deposit date: | 2002-01-30 | Release date: | 2003-01-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation. J.Med.Chem., 45, 2002
|
|
1KWQ
| HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 2000-07 | Descriptor: | 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE, Carbonic anhydrase II, MERCURY (II) ION, ... | Authors: | Grueneberg, S, Stubbs, M.T. | Deposit date: | 2002-01-30 | Release date: | 2003-01-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation. J.Med.Chem., 45, 2002
|
|
1LG5
| 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
| 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
|
|
1LG6
| Crystal Structure Analysis of HCA II Mutant T199P in Complex with Thiocyanate | Descriptor: | Carbonic anhydrase II, THIOCYANATE ION, 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 (2.2 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
|
|
1LUG
| Full Matrix Error Analysis of Carbonic Anhydrase | Descriptor: | (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER, Carbonic Anhydrase II, GLYCEROL, ... | Authors: | Merritt, E.A, Le Trong, I, Behnke, C.A. | Deposit date: | 2002-05-22 | Release date: | 2003-09-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Atomic resolution studies of carbonic anhydrase II. Acta Crystallogr.,Sect.D, 66, 2010
|
|
1LZV
| Site-Specific Mutant (Tyr7 replaced with His) of Human Carbonic Anhydrase II | Descriptor: | Carbonic Anhydrase II, ZINC ION | Authors: | Tu, C.K, Qian, M, An, H, Wadhwa, N.R, Duda, D.M, Yoshioka, C, Pathak, Y, McKenna, R, Laipis, P.J, Silverman, D.N. | Deposit date: | 2002-06-11 | Release date: | 2002-10-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Kinetic analysis of multiple proton shuttles in the active site of human carbonic anhydrase. J.Biol.Chem., 277, 2002
|
|
1MOO
| Site Specific Mutant (H64A) of Human Carbonic Anhydrase II at high resolution | Descriptor: | 4-METHYLIMIDAZOLE, Carbonic Anhydrase II, MERCURY (II) ION, ... | Authors: | Duda, D.M, Govindasamy, L, Agbandje-McKenna, M, Tu, C.K, Silverman, D.N, McKenna, R. | Deposit date: | 2002-09-09 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | The refined atomic structure of carbonic anhydrase II at 1.05 A resolution: implications of chemical rescue of proton transfer. Acta Crystallogr.,Sect.D, 59, 2003
|
|
1OQ5
| CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION | Authors: | Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G. | Deposit date: | 2003-03-07 | Release date: | 2004-03-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J.Med.Chem., 47, 2004
|
|