6D2M
| Beta Carbonic anhydrase in complex with thiocyanate | Descriptor: | Carbonic anhydrase, IMIDAZOLE, ZINC ION | Authors: | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | Deposit date: | 2018-04-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6D2J
| Beta Carbonic anhydrase in complex with thiocyanate | Descriptor: | Carbonic anhydrase, POTASSIUM ION, THIOCYANATE ION, ... | Authors: | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | Deposit date: | 2018-04-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6D2N
| Beta Carbonic anhydrase in complex with a sulfonamide anion | Descriptor: | Carbonic anhydrase, ZINC ION, sulfuric diamide | Authors: | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | Deposit date: | 2018-04-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6D2O
| Beta Carbonic anhydrase in complex with 4-methylimidazole | Descriptor: | 4-METHYLIMIDAZOLE, Carbonic anhydrase, ZINC ION | Authors: | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | Deposit date: | 2018-04-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6BBS
| Joint X-ray/neutron structure of 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: | Kovalevsky, A, Aggarwal, M, McKenna, R. | Deposit date: | 2017-10-19 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6BCC
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | Deposit date: | 2017-10-20 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6BC9
| Joint X-ray/neutron structure of human 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: | Kovalevsky, A, McKenna, R, Aggarwal, M. | Deposit date: | 2017-10-20 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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4YWP
| Sucrose Binding Site in genetically engineered Carbonic anhydrase IX | Descriptor: | Carbonic anhydrase 2, ZINC ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Pinard, M.A, Aggarwal, M. | Deposit date: | 2015-03-20 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX. Acta Crystallogr F Struct Biol Commun, 71, 2015
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4ZAO
| Genetically engineered Carbonic anhydrase IX | Descriptor: | Carbonic anhydrase 2, ZINC ION | Authors: | Pinard, M.A, Aggarwal, M. | Deposit date: | 2015-04-13 | Release date: | 2015-10-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX. Acta Crystallogr F Struct Biol Commun, 71, 2015
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4G0C
| Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding. | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Fisher, S.Z, McKenna, R, Aggarwal, M. | Deposit date: | 2012-07-09 | Release date: | 2012-09-19 | Last modified: | 2023-09-13 | Method: | NEUTRON DIFFRACTION (2 Å) | Cite: | Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding. J.Am.Chem.Soc., 134, 2012
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6V85
| Parainfluenza virus 5 L-P complex | Descriptor: | Phosphoprotein, RNA-directed RNA polymerase L, ZINC ION | Authors: | Abdella, R, He, Y. | Deposit date: | 2019-12-10 | Release date: | 2020-02-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.38 Å) | Cite: | Structure of a paramyxovirus polymerase complex reveals a unique methyltransferase-CTD conformation. Proc.Natl.Acad.Sci.USA, 117, 2020
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6V86
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3V3J
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3V3G
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3V3F
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3V3I
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3V3H
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4IDR
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5FTW
| Crystal structure of glutamate O-methyltransferase in complex with S- adenosyl-L-homocysteine (SAH) from Bacillus subtilis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHEMOTAXIS PROTEIN METHYLTRANSFERASE, GLYCEROL, ... | Authors: | Sharma, R, Dhindwal, S, Batra, M, Aggarwal, M, Kumar, P, Tomar, S. | Deposit date: | 2016-01-18 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Pentapeptide-Independent Chemotaxis Receptor Methyltransferase (Cher) Reveals Idiosyncratic Structural Determinants for Receptor Recognition. J.Struct.Biol., 196, 2016
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3N2P
| Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | Deposit date: | 2010-05-18 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.648 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3MZC
| Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-05-12 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3N3J
| Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | Deposit date: | 2010-05-20 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3N4B
| Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | Deposit date: | 2010-05-21 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3N0N
| Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | Deposit date: | 2010-05-14 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3TVO
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