1YJM
 
 | | Crystal structure of the FHA domain of mouse polynucleotide kinase in complex with an XRCC4-derived phosphopeptide. | | Descriptor: | 12-mer peptide from DNA-repair protein XRCC4, Polynucleotide 5'-hydroxyl-kinase | | Authors: | Bernstein, N.K, Williams, R.S, Rakovszky, M.L, Cui, D, Green, R, Karimi-Busheri, F, Mani, R.S, Galicia, S, Koch, C.A, Cass, C.E, Durocher, D, Weinfeld, M, Glover, J.N.M. | | Deposit date: | 2005-01-14 | | Release date: | 2005-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The molecular architecture of the mammalian DNA repair enzyme, polynucleotide kinase.
Mol.Cell, 17, 2005
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1YJ5
 | | Molecular architecture of mammalian polynucleotide kinase, a DNA repair enzyme | | Descriptor: | 5' polynucleotide kinase-3' phosphatase FHA domain, 5' polynucleotide kinase-3' phosphatase catalytic domain, SULFATE ION | | Authors: | Bernstein, N.K, Williams, R.S, Rakovszky, M.L, Cui, D, Green, R, Karimi-Busheri, F, Mani, R.S, Galicia, S, Koch, C.A, Cass, C.E, Durocher, D, Weinfeld, M, Glover, J.N.M. | | Deposit date: | 2005-01-13 | | Release date: | 2005-03-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The molecular architecture of the mammalian DNA repair enzyme, polynucleotide kinase.
Mol.Cell, 17, 2005
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7X7N
 | | 3D model of the 3-RBD up single trimeric spike protein of SARS-CoV2 in the presence of synthetic peptide SIH-5. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, Synthetic peptide SIH-5 | | Authors: | Khatri, B, Pramanick, I, Malladi, S.K, Rajmani, R.S, Kumar, S, Ghosh, P, Sengupta, N, Rahisuddin, R, Kumaran, S, Ringe, R.P, Varadarajan, R, Dutta, S, Chatterjee, J. | | Deposit date: | 2022-03-10 | | Release date: | 2022-04-27 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (4.47 Å) | | Cite: | A dimeric proteomimetic prevents SARS-CoV-2 infection by dimerizing the spike protein.
Nat.Chem.Biol., 18, 2022
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3U7H
 | | Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTTp) | | Descriptor: | Bifunctional polynucleotide phosphatase/kinase, DNA, GLYCEROL, ... | | Authors: | Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M. | | Deposit date: | 2011-10-13 | | Release date: | 2011-12-14 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3U7F
 | | Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTCp) | | Descriptor: | Bifunctional polynucleotide phosphatase/kinase, DNA, GLYCEROL, ... | | Authors: | Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M. | | Deposit date: | 2011-10-13 | | Release date: | 2011-12-14 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3U7E
 | | Crystal structure of mPNKP catalytic fragment (D170A) | | Descriptor: | Bifunctional polynucleotide phosphatase/kinase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M. | | Deposit date: | 2011-10-13 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3U7G
 | | Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTAp) | | Descriptor: | Bifunctional polynucleotide phosphatase/kinase, DNA, GLYCEROL, ... | | Authors: | Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M. | | Deposit date: | 2011-10-13 | | Release date: | 2011-12-14 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3SR2
 | | Crystal Structure of Human XLF-XRCC4 Complex | | Descriptor: | DNA repair protein XRCC4, Non-homologous end-joining factor 1 | | Authors: | Hammel, M, Classen, S, Tainer, J.A. | | Deposit date: | 2011-07-06 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.9708 Å) | | Cite: | XRCC4 Protein Interactions with XRCC4-like Factor (XLF) Create an Extended Grooved Scaffold for DNA Ligation and Double Strand Break Repair.
J.Biol.Chem., 286, 2011
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8GCC
 | | T. cruzi topoisomerase II alpha bound to dsDNA and the covalent inhibitor CT1 | | Descriptor: | 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one, DNA (28-MER), DNA topoisomerase 2 | | Authors: | Schenk, A, Deniston, C, Noeske, J. | | Deposit date: | 2023-03-01 | | Release date: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Cyanotriazoles are selective topoisomerase II poisons that rapidly cure trypanosome infections.
Science, 380, 2023
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7XNZ
 | | Native cystathionine beta-synthase of Mycobacterium tuberculosis. | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Putative cystathionine beta-synthase Rv1077 | | Authors: | Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A. | | Deposit date: | 2022-04-30 | | Release date: | 2022-05-25 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | S-Adenosylmethionine-responsive cystathionine beta-synthase modulates sulfur metabolism and redox balance in Mycobacterium tuberculosis.
Sci Adv, 8, 2022
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7XOH
 | | Cystathionine beta-synthase of Mycobacterium tuberculosis in the presence of S-adenosylmethionine. | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Putative cystathionine beta-synthase Rv1077 | | Authors: | Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A. | | Deposit date: | 2022-05-01 | | Release date: | 2022-05-25 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | S-Adenosylmethionine-responsive cystathionine beta-synthase modulates sulfur metabolism and redox balance in Mycobacterium tuberculosis.
Sci Adv, 8, 2022
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7XOY
 | | Cystathionine beta-synthase of Mycobacterium tuberculosis in the presence of S-adenosylmethionine and serine. | | Descriptor: | Putative cystathionine beta-synthase Rv1077, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE | | Authors: | Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A. | | Deposit date: | 2022-05-01 | | Release date: | 2022-05-25 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | S-Adenosylmethionine-responsive cystathionine beta-synthase modulates sulfur metabolism and redox balance in Mycobacterium tuberculosis.
Sci Adv, 8, 2022
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6HCW
 | | Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSINE, Lysine--tRNA ligase, ... | | Authors: | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | | Deposit date: | 2018-08-16 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6HCV
 | | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand | | Descriptor: | 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase | | Authors: | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | | Deposit date: | 2018-08-16 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6HCU
 | | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ... | | Authors: | Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | | Deposit date: | 2018-08-16 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5XIF
 | | Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Toxoplasma gondii | | Descriptor: | CHLORIDE ION, Prolyl-tRNA synthetase (ProRS) | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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5XIL
 | | Crystal Structure of Leishmania major Prolyl-tRNA Synthetase (LmPRS) | | Descriptor: | ACETATE ION, MAGNESIUM ION, Putative prolyl-tRNA synthetase, ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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5XIG
 | | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Inhibitor 1 | | Descriptor: | 3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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5XIO
 | | Crystal Structure of Cryptosporidium parvum Prolyl-tRNA Synthetase (CpPRS) in complex with Halofuginone | | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proline-tRNA synthetase class II aaRS (Ybak RNA binding domain plus tRNA synthetase), ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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5XIJ
 | | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Inhibitor 9 | | Descriptor: | 3-[(2R)-2-oxidanyl-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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5XIH
 | | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with inhibitor 5 | | Descriptor: | 6,7-bis(fluoranyl)-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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5XIK
 | | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with tetrahydro quinazolinone febrifugine | | Descriptor: | 3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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5XIP
 | | Crystal Structure of Eimeria tenella Prolyl-tRNA Synthetase (EtPRS) in complex with Halofuginone | | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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5XIQ
 | | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Halofuginone | | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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5XII
 | | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with inhibitor 6 | | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-7-fluoranyl-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, CHLORIDE ION, ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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