2LC5
| Calmodulin-like Protein from Entamoeba histolytica: Solution Structure and Calcium-Binding Properties of a Partially Folded Protein | Descriptor: | CALCIUM ION, Calmodulin, putative | Authors: | Rout, A.K, Padhan, N, Barnwal, R.P, Bhattacharya, A, Chary, K.V. | Deposit date: | 2011-04-23 | Release date: | 2011-06-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Calmodulin like protein from Entamoeba histolytica: solution structure and calcium binding properties of a partially folded protein. Biochemistry, 50, 2010
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2M7K
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2M7M
| N-terminal domain of EhCaBP1 structure | Descriptor: | CALCIUM ION, Calcium-binding protein | Authors: | Chary, K.V, Rout, A.K, Patel, S, Bhattacharya, A. | Deposit date: | 2013-04-26 | Release date: | 2013-06-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Functional Manipulation of a Calcium-binding Protein from Entamoeba histolytica Guided by Paramagnetic NMR. J.Biol.Chem., 288, 2013
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2M7N
| C-terminal structure of (Y81F)-EhCaBP1 | Descriptor: | CALCIUM ION, Calcium-binding protein | Authors: | Chary, K.V, Rout, A.K, Patel, S, Bhattacharya, A. | Deposit date: | 2013-04-26 | Release date: | 2013-06-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Functional Manipulation of a Calcium-binding Protein from Entamoeba histolytica Guided by Paramagnetic NMR. J.Biol.Chem., 288, 2013
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4WYM
| Structural basis of HIV-1 capsid recognition by CPSF6 | Descriptor: | Capsid protein p24, ISOFORM 2 OF CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 6 | Authors: | Battacharya, A, Taylor, A.B, Hart, P.J, Ivanov, D.N. | Deposit date: | 2014-11-17 | Release date: | 2014-12-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of HIV-1 capsid recognition by PF74 and CPSF6. Proc.Natl.Acad.Sci.USA, 111, 2014
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4QNB
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4OQA
| Structure of Human PARP-1 bound to a DNA double strand break in complex with (2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide | Descriptor: | (2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DNA (26-MER), Poly [ADP-ribose] polymerase 1, ... | Authors: | Pascal, J.M, Steffen, J.D. | Deposit date: | 2014-02-07 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors. J.Med.Chem., 57, 2014
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5DU8
| Crystal structure of M. tuberculosis EchA6 bound to GSK572A | Descriptor: | (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | Deposit date: | 2015-09-18 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
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5DTP
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5DU4
| Crystal structure of M. tuberculosis EchA6 bound to ligand GSK366A | Descriptor: | (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | Deposit date: | 2015-09-18 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
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5DVX
| Crystal structure of the catalytic-domain of human carbonic anhydrase IX at 1.6 angstrom resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Carbonic anhydrase 9, ... | Authors: | Mahon, B.P, Socorro, L, Driscoll, J.M, McKenna, R. | Deposit date: | 2015-09-21 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | The Structure of Carbonic Anhydrase IX Is Adapted for Low-pH Catalysis. Biochemistry, 55, 2016
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6AEF
| PapA2 acyl transferase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Trehalose-2-sulfate acyltransferase PapA2, ... | Authors: | Chaudhary, S, Rao, V, Panchal, V. | Deposit date: | 2018-08-04 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | A novel mutation alters the stability of PapA2 resulting in the complete abrogation of sulfolipids in clinical mycobacterial strains. Faseb Bioadv, 1, 2019
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5DUF
| Crystal structure of M. tuberculosis EchA6 bound to ligand GSK729A | Descriptor: | (5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid, Probable enoyl-CoA hydratase echA6 | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | Deposit date: | 2015-09-18 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
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5DUC
| Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A | Descriptor: | (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | Deposit date: | 2015-09-18 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
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5DU6
| Crystal structure of M. tuberculosis EchA6 bound to ligand GSK059A. | Descriptor: | (5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | Deposit date: | 2015-09-18 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
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4OPX
| Structure of Human PARP-1 bound to a DNA double strand break in complex with (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide | Descriptor: | (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide, DNA (26-MER), Poly [ADP-ribose] polymerase 1, ... | Authors: | Pascal, J.M, Steffen, J.D. | Deposit date: | 2014-02-06 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.314 Å) | Cite: | Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors. J.Med.Chem., 57, 2014
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4OQB
| Structure of Human PARP-1 bound to a DNA double strand break in complex with (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide | Descriptor: | (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DNA (26-MER), Poly [ADP-ribose] polymerase 1, ... | Authors: | Pascal, J.M, Steffen, J.D. | Deposit date: | 2014-02-07 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.362 Å) | Cite: | Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors. J.Med.Chem., 57, 2014
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5DTW
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4RMF
| Biochemical and structural characterization of mycobacterial aspartyl-tRNA synthetase AspS, a promising TB drug target | Descriptor: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Aspartate--tRNA(Asp/Asn) ligase, FORMIC ACID | Authors: | Cox, J.A.G, Gurcha, S.S, Veeraraghavan, U, Besra, G.S, Futterer, K. | Deposit date: | 2014-10-21 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biochemical and Structural Characterization of Mycobacterial Aspartyl-tRNA Synthetase AspS, a Promising TB Drug Target. Plos One, 9, 2014
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3PTY
| Crystal structure of the C-terminal extracellular domain of Mycobacterium tuberculosis EmbC | Descriptor: | Arabinosyltransferase C, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Alderwick, L.J, Besra, G.S, Futterer, K. | Deposit date: | 2010-12-03 | Release date: | 2010-12-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The C-Terminal Domain of the Arabinosyltransferase Mycobacterium tuberculosis EmbC Is a Lectin-Like Carbohydrate Binding Module. Plos Pathog., 7, 2011
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6A4J
| Crystal structure of Thioredoxin reductase 2 from Staphylococcus aureus | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase | Authors: | Bose, M, Bhattacharyya, S, Ghosh, A.K, Das, A.K. | Deposit date: | 2018-06-20 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Elucidation of the mechanism of disulfide exchange between staphylococcal thioredoxin2 and thioredoxin reductase2: A structural insight. Biochimie, 160, 2019
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4RUV
| Crystal structure of thioredoxin 2 from Staphylococcus aureus NCTC8325 | Descriptor: | Thioredoxin | Authors: | Bose, M, Biswas, R, Roychowdhury, A, Bhattacharyya, S, Ghosh, A.K, Das, A.K. | Deposit date: | 2014-11-22 | Release date: | 2015-12-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Elucidation of the mechanism of disulfide exchange between staphylococcal thioredoxin2 and thioredoxin reductase2: A structural insight. Biochimie, 160, 2019
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6YVA
| PLpro-C111S with mISG15 | Descriptor: | Replicase polyprotein 1a, Ubiquitin-like protein ISG15, ZINC ION | Authors: | Shin, D, Dikic, I. | Deposit date: | 2020-04-28 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity. Nature, 587, 2020
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5NL6
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5NL7
| The crystal structure of the Actin Binding Domain (ABD) of alpha actinin from Entamoeba histolytica | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Calponin homology domain protein putative | Authors: | Pinotsis, N, Djinovic-Carugo, K, Khan, M.B. | Deposit date: | 2017-04-04 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin. Proc.Natl.Acad.Sci.USA, 117, 2020
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