6VJ3
 
 | | Carbonic Anhydrase II in complex with pyrimidine-based inhibitor | | Descriptor: | 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Lomelino, C.L, McKenna, R. | | Deposit date: | 2020-01-14 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells.
Eur.J.Med.Chem., 190, 2020
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6B4D
 | | Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative. | | Descriptor: | 3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Lomelino, C.L, Mahon, B.P, McKenna, R. | | Deposit date: | 2017-09-26 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.196 Å) | | Cite: | Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors.
ACS Med Chem Lett, 8, 2017
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3SXF
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89 | | Descriptor: | 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | | Authors: | Larson, E.T, Merritt, E.A. | | Deposit date: | 2011-07-14 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
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3SX9
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2PGF
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2PGR
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5Y2R
 | | 2.5 atm CO2-pressurized human carbonic anhydrase II | | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Kim, C.U, Park, S.Y. | | Deposit date: | 2017-07-27 | | Release date: | 2018-02-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
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6GEN
 | | Chromatin remodeller-nucleosome complex at 4.5 A resolution. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-like protein ARP6, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Willhoft, O, Chua, E.Y.D, Wilkinson, M, Wigley, D.B. | | Deposit date: | 2018-04-27 | | Release date: | 2018-10-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure and dynamics of the yeast SWR1-nucleosome complex.
Science, 362, 2018
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6GEJ
 | | Chromatin remodeller-nucleosome complex at 3.6 A resolution. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-like protein ARP6, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Willhoft, O, Chua, E.Y.D, Wilkinson, M, Wigley, D.B. | | Deposit date: | 2018-04-26 | | Release date: | 2018-10-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure and dynamics of the yeast SWR1-nucleosome complex.
Science, 362, 2018
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3BJE
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4ZGY
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4ZGZ
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5ZF6
 | | Crystal structure of the dimeric human PNPase | | Descriptor: | Polyribonucleotide nucleotidyltransferase 1, mitochondrial | | Authors: | Yuan, H.S, Golzarroshan, B. | | Deposit date: | 2018-03-02 | | Release date: | 2018-08-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Crystal structure of dimeric human PNPase reveals why disease-linked mutants suffer from low RNA import and degradation activities.
Nucleic Acids Res., 46, 2018
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4M97
 | | Calcium-Dependent Protein Kinase 1 from Neospora caninum | | Descriptor: | Calmodulin-like domain protein kinase isoenzyme gamma, related | | Authors: | Merritt, E.A. | | Deposit date: | 2013-08-14 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
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1B4M
 | | NMR STRUCTURE OF APO CELLULAR RETINOL-BINDING PROTEIN II, 24 STRUCTURES | | Descriptor: | CELLULAR RETINOL-BINDING PROTEIN II | | Authors: | Lu, J, Lin, C.-L, Tang, C, Ponder, J.W, Kao, J.L.F, Cistola, D.P, Li, E. | | Deposit date: | 1998-12-23 | | Release date: | 1999-04-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The structure and dynamics of rat apo-cellular retinol-binding protein II in solution: comparison with the X-ray structure.
J.Mol.Biol., 286, 1999
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3NH2
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3NH0
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3NGZ
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3NGY
 | | Crystal structure of RNase T (E92G mutant) | | Descriptor: | COBALT (II) ION, Ribonuclease T, his tag sequence | | Authors: | Hsiao, Y.-Y, Yuan, H.S. | | Deposit date: | 2010-06-14 | | Release date: | 2011-02-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Structural basis for RNA trimming by RNase T in stable RNA 3'-end maturation
Nat.Chem.Biol., 7, 2011
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3NH1
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4WG5
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4WG3
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4WG4
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6EBE
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-06 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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6EEA
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-13 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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