2BVC
| Crystal structure of Mycobacterium tuberculosis glutamine synthetase in complex with a transition state mimic | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ... | Authors: | Krajewski, W.W, Jones, T.A, Mowbray, S.L. | Deposit date: | 2005-06-23 | Release date: | 2005-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with a Transition-State Mimic Provides Functional Insights. Proc.Natl.Acad.Sci.USA, 102, 2005
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7ZX0
| Crystal structure of Pol theta polymerase domain in complex with compound 5 | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | Deposit date: | 2022-05-19 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta. J.Med.Chem., 65, 2022
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7ZUS
| Crystal structure of ternary complex of Pol theta polymerase domain | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), DNA (5'-D(P*TP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), ... | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | Deposit date: | 2022-05-13 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta. J.Med.Chem., 65, 2022
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7ZX1
| Crystal structure of Pol theta polymerase domain in complex with compound 22 | Descriptor: | (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | Deposit date: | 2022-05-19 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.829 Å) | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta. J.Med.Chem., 65, 2022
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5NGF
| Crystal structure of USP7 in complex with the covalent inhibitor, FT827 | Descriptor: | 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 7, ~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide | Authors: | Krajewski, W.W, Turnbull, A.P, Ioannidis, S, Kessler, B.M, Komander, D. | Deposit date: | 2017-03-17 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Molecular basis of USP7 inhibition by selective small-molecule inhibitors. Nature, 550, 2017
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2UU7
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4CEJ
| Crystal structure of AddAB-DNA-ADPNP complex at 3 Angstrom resolution | Descriptor: | ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ... | Authors: | Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D. | Deposit date: | 2013-11-11 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites. Nature, 508, 2014
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4CEH
| Crystal structure of AddAB with a forked DNA substrate | Descriptor: | ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ... | Authors: | Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D. | Deposit date: | 2013-11-11 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites. Nature, 508, 2014
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4CEI
| Crystal structure of ADPNP-bound AddAB with a forked DNA substrate | Descriptor: | ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ... | Authors: | Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D. | Deposit date: | 2013-11-11 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites. Nature, 508, 2014
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5NGE
| Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671 | Descriptor: | 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Turnbull, A.P, Krajewski, W.W, Ioannidis, S, Kessler, B.M, Komander, D. | Deposit date: | 2017-03-17 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular basis of USP7 inhibition by selective small-molecule inhibitors. Nature, 550, 2017
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2WGS
| Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor. | Descriptor: | 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1 | Authors: | Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L. | Deposit date: | 2009-04-27 | Release date: | 2009-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors. J.Mol.Biol., 393, 2009
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2WHI
| Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor and L-methionine-S- sulfoximine phosphate. | Descriptor: | 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ... | Authors: | Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L. | Deposit date: | 2009-05-05 | Release date: | 2009-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors. J.Mol.Biol., 393, 2009
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