3H4I
 
 | | Chimeric Glycosyltransferase for the generation of novel natural products | | Descriptor: | Glycosyltransferase GtfA, Glycosyltransferase, SULFATE ION, ... | | Authors: | Dias, M.V.B, Truman, A.W, Wu, S, Blundell, T.L, Huang, F, Spencer, J.B. | | Deposit date: | 2009-04-20 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Chimeric glycosyltransferases for the generation of hybrid glycopeptides
Chem.Biol., 16, 2009
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3H4T
 | | Chimeric Glycosyltransferase for the generation of novel natural products - GtfAH1 in complex with UDP-2F-Glc | | Descriptor: | Glycosyltransferase GtfA, Glycosyltransferase, PHOSPHATE ION, ... | | Authors: | Dias, M.V.B, Truman, A.W, Wu, S, Blundell, T.L, Huang, F, Spencer, J.B. | | Deposit date: | 2009-04-20 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Chimeric glycosyltransferases for the generation of hybrid glycopeptides
Chem.Biol., 16, 2009
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2ASU
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1IHO
 | | CRYSTAL APO-STRUCTURE OF PANTOTHENATE SYNTHETASE FROM E. COLI | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PANTOATE--BETA-ALANINE LIGASE | | Authors: | von Delft, F, Lewendon, A, Dhanaraj, V, Blundell, T.L, Abell, C, Smith, A. | | Deposit date: | 2001-04-19 | | Release date: | 2001-05-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of E. coli pantothenate synthetase confirms it as a member of the cytidylyltransferase superfamily.
Structure, 9, 2001
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1IK9
 | | CRYSTAL STRUCTURE OF A XRCC4-DNA LIGASE IV COMPLEX | | Descriptor: | DNA LIGASE IV, DNA REPAIR PROTEIN XRCC4 | | Authors: | Sibanda, B.L, Critchlow, S.E, Begun, J, Pei, X.Y, Jackson, S.P, Blundell, T.L, Pellegrini, L. | | Deposit date: | 2001-05-03 | | Release date: | 2001-11-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of an Xrcc4-DNA ligase IV complex.
Nat.Struct.Biol., 8, 2001
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1K9Z
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1KA0
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1K9Y
 | | The PAPase Hal2p complexed with magnesium ions and reaction products: AMP and inorganic phosphate | | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, Halotolerance protein HAL2, ... | | Authors: | Patel, S, Albert, A, Blundell, T.L. | | Deposit date: | 2001-10-31 | | Release date: | 2001-11-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases.
J.Mol.Biol., 320, 2002
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1KA1
 | | The PAPase Hal2p complexed with calcium and magnesium ions and reaction substrate: PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, CALCIUM ION, ... | | Authors: | Patel, S, Albert, A, Blundell, T.L. | | Deposit date: | 2001-10-31 | | Release date: | 2001-11-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases.
J.Mol.Biol., 320, 2002
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1KS9
 | | Ketopantoate Reductase from Escherichia coli | | Descriptor: | 2-DEHYDROPANTOATE 2-REDUCTASE | | Authors: | Matak-Vinkovic, D, Vinkovic, M, Saldanha, S.A, Ashurst, J.A, von Delft, F, Inoue, T, Miguel, R.N, Smith, A.G, Blundell, T.L, Abell, C. | | Deposit date: | 2002-01-11 | | Release date: | 2002-01-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Escherichia coli ketopantoate reductase at 1.7 A resolution and insight into the enzyme mechanism.
Biochemistry, 40, 2001
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1JP4
 | | Crystal Structure of an Enzyme Displaying both Inositol-Polyphosphate 1-Phosphatase and 3'-Phosphoadenosine-5'-Phosphate Phosphatase Activities | | Descriptor: | 3'(2'),5'-bisphosphate nucleotidase, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ... | | Authors: | Patel, S, Yenush, L, Rodriguez, P.L, Serrano, R, Blundell, T.L. | | Deposit date: | 2001-08-01 | | Release date: | 2001-08-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of an enzyme displaying both inositol-polyphosphate-1-phosphatase and 3'-phosphoadenosine-5'-phosphate phosphatase activities: a novel target of lithium therapy.
J.Mol.Biol., 315, 2002
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1M3U
 | | Crystal Structure of Ketopantoate Hydroxymethyltransferase complexed the Product Ketopantoate | | Descriptor: | 3-methyl-2-oxobutanoate hydroxymethyltransferase, KETOPANTOATE, MAGNESIUM ION | | Authors: | von Delft, F, Inoue, T, Saldanha, S.A, Ottenhof, H.H, Dhanaraj, V, Witty, M, Abell, C, Smith, A.G, Blundell, T.L. | | Deposit date: | 2002-06-30 | | Release date: | 2003-07-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of E. coli Ketopantoate Hydroxymethyl Transferase Complexed with Ketopantoate and Mg(2+), Solved by Locating 160 Selenomethionine Sites.
Structure, 11, 2003
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3V42
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3W1G
 | | Crystal Structure of Human DNA ligase IV-Artemis Complex (Native) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Artemis-derived peptide, DNA ligase 4, ... | | Authors: | Ochi, T, Blundell, T.L. | | Deposit date: | 2012-11-15 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of the catalytic region of DNA ligase IV in complex with an artemis fragment sheds light on double-strand break repair
Structure, 21, 2013
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3W03
 | | XLF-XRCC4 complex | | Descriptor: | DNA repair protein XRCC4, Non-homologous end-joining factor 1 | | Authors: | Wu, Q, Ochi, T, Matak-Vinkovic, D, Robinson, C.V, Chirgadze, D.Y, Blundell, T.L. | | Deposit date: | 2012-10-17 | | Release date: | 2012-11-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (8.492 Å) | | Cite: | Non-homologous end-joining partners in a helical dance: structural studies of XLF-XRCC4 interactions
Biochem.Soc.Trans., 39, 2011
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3W1B
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3WTF
 | | Structure of PAXX | | Descriptor: | Uncharacterized protein C9orf142 | | Authors: | Ochi, T, Blundell, T.L. | | Deposit date: | 2014-04-09 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.451 Å) | | Cite: | DNA repair. PAXX, a paralog of XRCC4 and XLF, interacts with Ku to promote DNA double-strand break repair.
Science, 347, 2015
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3W5O
 | | Crystal Structure of Human DNA ligase IV | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA ligase 4, SULFATE ION | | Authors: | Gu, X, Ochi, T, Blundell, T.L. | | Deposit date: | 2013-02-02 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structure of the catalytic region of DNA ligase IV in complex with an artemis fragment sheds light on double-strand break repair
Structure, 21, 2013
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3WTD
 | | Structure of PAXX | | Descriptor: | Uncharacterized protein C9orf142 | | Authors: | Ochi, T, Blundell, T.L. | | Deposit date: | 2014-04-09 | | Release date: | 2015-01-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | DNA repair. PAXX, a paralog of XRCC4 and XLF, interacts with Ku to promote DNA double-strand break repair.
Science, 347, 2015
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3VNN
 | | Crystal Structure of a sub-domain of the nucleotidyltransferase (adenylation) domain of human DNA ligase IV | | Descriptor: | DNA ligase 4 | | Authors: | Ochi, T, Wu, Q, Chirgadze, D.Y, Grossmann, J.G, Bolanos-Garcia, V.M, Blundell, T.L. | | Deposit date: | 2012-01-17 | | Release date: | 2012-06-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.903 Å) | | Cite: | Structural insights into the role of domain flexibility in human DNA ligase IV
Structure, 20, 2012
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5MXV
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1107112A at 1.63A resolution | | Descriptor: | 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide, HTH-type transcriptional regulator EthR | | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | Deposit date: | 2017-01-24 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.626 Å) | | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
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5MXK
 | | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9. | | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide | | Authors: | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2017-01-23 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MYN
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK445886A at 1.56A resolution | | Descriptor: | HTH-type transcriptional regulator EthR, ~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine | | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | Deposit date: | 2017-01-27 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.564 Å) | | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
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5MYL
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1570606A at 1.72A resolution | | Descriptor: | 2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide, HTH-type transcriptional regulator EthR | | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | Deposit date: | 2017-01-27 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.724 Å) | | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
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5MYR
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK735816A at 1.83A resolution | | Descriptor: | 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine, HTH-type transcriptional regulator EthR | | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | Deposit date: | 2017-01-27 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.828 Å) | | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
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