4K0S
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4L5W
| Structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | Authors: | Boone, C.D, Gill, S, McKenna, R. | Deposit date: | 2013-06-11 | Release date: | 2014-04-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
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4L5U
| The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | Authors: | Boone, C.D, Gill, S, McKenna, R. | Deposit date: | 2013-06-11 | Release date: | 2014-04-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
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4L5V
| The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | Authors: | Boone, C.D, Gill, S, McKenna, R. | Deposit date: | 2013-06-11 | Release date: | 2014-04-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
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4M2U
| Carbonic Anhydrase II in complex with Dorzolamide | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. | Deposit date: | 2013-08-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4M2V
| Genetically engineered Carbonic Anhydrase IX in complex with Brinzolamide | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. | Deposit date: | 2013-08-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.718 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4M2R
| Human Carbonic Anhydrase II in complex with Brinzolamide | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. | Deposit date: | 2013-08-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.993 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4M2W
| Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, McKenna, R. | Deposit date: | 2013-08-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4N16
| Structure of cholate bound to human carbonic anhydrase II | Descriptor: | CHOLIC ACID, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Boone, C.D, McKenna, R. | Deposit date: | 2013-10-03 | Release date: | 2014-06-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural elucidation of the hormonal inhibition mechanism of the bile acid cholate on human carbonic anhydrase II. Acta Crystallogr.,Sect.D, 70, 2014
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3RLD
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4QGI
| X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, GLYCEROL, Protease | Authors: | Mahon, B.P, McKenna, R, Goldfarb, N. | Deposit date: | 2014-05-22 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency. Biochemistry, 54, 2015
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4QK2
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4PXX
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4QK1
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4QK3
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4R5A
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4R5B
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4RFD
| Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium | Descriptor: | 4-(4-sulfamoyl-phenoxy)-butylammonium, BICARBONATE ION, Carbonic anhydrase 2, ... | Authors: | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | Deposit date: | 2014-09-25 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J.Med.Chem., 57, 2014
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4R59
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4RFC
| Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | Descriptor: | Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | Authors: | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | Deposit date: | 2014-09-25 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.645 Å) | Cite: | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J.Med.Chem., 57, 2014
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4RIU
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4RIV
| A Carbonic Anhydrase IX Mimic in Complex with Saccharin | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Mahon, B.P, McKenna, R. | Deposit date: | 2014-10-07 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Saccharin: A lead compound for structure-based drug design of carbonic anhydrase IX inhibitors. Bioorg.Med.Chem., 23, 2015
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4RUZ
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4TSH
| A Novel Protein Fold Forms an Intramolecular Lock to Stabilize the Tertiary Structure of Streptococcus mutans Adhesin P1 | Descriptor: | CALCIUM ION, MAGNESIUM ION, Surface protein adhesin | Authors: | Heim, K.P, Kailasan, S, McKenna, R, Brady, L.J. | Deposit date: | 2014-06-18 | Release date: | 2014-10-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An intramolecular lock facilitates folding and stabilizes the tertiary structure of Streptococcus mutans adhesin P1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4RXY
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