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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1QIC
| CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN | Descriptor: | CALCIUM ION, PROTEIN (STROMELYSIN-1), ZINC ION | Authors: | Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V. | Deposit date: | 1999-06-11 | Release date: | 2003-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity Protein Sci., 8, 1999
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1QIA
| CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN | Descriptor: | CALCIUM ION, STROMELYSIN-1, ZINC ION | Authors: | Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V. | Deposit date: | 1999-06-11 | Release date: | 2003-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity Protein Sci., 8, 1999
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1A0R
| HETEROTRIMERIC COMPLEX OF PHOSDUCIN/TRANSDUCIN BETA-GAMMA | Descriptor: | FARNESYL, PHOSDUCIN, TRANSDUCIN (BETA SUBUNIT), ... | Authors: | Loew, A, Ho, Y.-K, Blundell, T.L, Bax, B. | Deposit date: | 1997-12-05 | Release date: | 1998-12-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Phosducin induces a structural change in transducin beta gamma. Structure, 6, 1998
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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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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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4A6X
| RadA C-terminal ATPase domain from Pyrococcus furiosus bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION | Authors: | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2011-11-10 | Release date: | 2012-11-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.548 Å) | Cite: | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
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4A6P
| RadA C-terminal ATPase domain from Pyrococcus furiosus | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2011-11-08 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
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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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4B2P
| RadA C-terminal ATPase domain from Pyrococcus furiosus bound to GTP | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2012-07-17 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
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1CZI
| CHYMOSIN COMPLEX WITH THE INHIBITOR CP-113972 | Descriptor: | CHYMOSIN, CP-113972 (NORSTATINE-S-METHYL CYSTEINE-IODO-PHENYLALANINE-PROLINE) | Authors: | Groves, M.R, Dhanaraj, V, Pitts, J.E, Badasso, M, Hoover, D, Nugent, P, Blundell, T.L. | Deposit date: | 1997-01-15 | Release date: | 1997-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A 2.3 A resolution structure of chymosin complexed with a reduced bond inhibitor shows that the active site beta-hairpin flap is rearranged when compared with the native crystal structure. Protein Eng., 11, 1998
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1KA0
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1K9Z
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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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7NOS
| Crystal structure of Mycobacterium tuberculosis ArgF in complex with 4-bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole. | Descriptor: | 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole, Ornithine carbamoyltransferase, PHOSPHATE ION | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NNY
| Crystal structure of Mycobacterium tuberculosis ArgF in complex with naphthalen-1-ol. | Descriptor: | 1-NAPHTHOL, Ornithine carbamoyltransferase, PHOSPHATE ION | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NOU
| Crystal structure of Mycobacterium tuberculosis ArgF in complex with (3,5-dichlorophenyl)boronic acid. | Descriptor: | Ornithine carbamoyltransferase, PHOSPHATE ION, [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NNZ
| Crystal structure of Mycobacterium tuberculosis ArgF in complex with 5-methyl-4-phenylthiazol-2-amine. | Descriptor: | 5-methyl-4-phenyl-1,3-thiazol-2-amine, Ornithine carbamoyltransferase, PHOSPHATE ION | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NNF
| Crystal structure of Mycobacterium tuberculosis ArgF in apo form. | Descriptor: | Ornithine carbamoyltransferase, PHOSPHATE ION | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-24 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NP0
| Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-nitrophenyl)boronic acid. | Descriptor: | Ornithine carbamoyltransferase, PHOSPHATE ION, p-nitrophenylboronic acid | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-26 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NOT
| Crystal structure of Mycobacterium tuberculosis ArgC in complex with nicotinamide adenine dinucleotide phosphate (NADP+) and 5-Methoxy-3-indoleacetic acid | Descriptor: | (5-methoxy-1H-indol-3-yl)acetic acid, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NOR
| Crystal structure of Mycobacterium tuberculosis ArgF in complex with 2-fluoro-4-hydroxybenzonitrile. | Descriptor: | 2-fluoro-4-hydroxybenzonitrile, Ornithine carbamoyltransferase, PHOSPHATE ION | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NNV
| Crystal structure of Mycobacterium tuberculosis ArgF in complex with carbamoyl phosphate. | Descriptor: | 1,2-ETHANEDIOL, Ornithine carbamoyltransferase, PHOSPHATE ION, ... | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NOV
| Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-methyl-3-nitrophenyl)boronic acid. | Descriptor: | (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron, Ornithine carbamoyltransferase, PHOSPHATE ION | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-26 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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