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2BVC
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BU of 2bvc by Molmil
Crystal structure of Mycobacterium tuberculosis glutamine synthetase in complex with a transition state mimic
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ...
著者Krajewski, W.W, Jones, T.A, Mowbray, S.L.
登録日2005-06-23
公開日2005-07-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with a Transition-State Mimic Provides Functional Insights.
Proc.Natl.Acad.Sci.USA, 102, 2005
2UU7
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BU of 2uu7 by Molmil
Crystal structure of apo glutamine synthetase from dog (Canis familiaris)
分子名称: CHLORIDE ION, GLUTAMINE SYNTHETASE, MAGNESIUM ION
著者Krajewski, W.W, Jones, T.A, Mowbray, S.L.
登録日2007-02-28
公開日2007-10-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of Mammalian Glutamine Synthetases Illustrate Substrate-Induced Conformational Changes and Provide Opportunities for Drug and Herbicide Design.
J.Mol.Biol., 375, 2008
4CEH
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BU of 4ceh by Molmil
Crystal structure of AddAB with a forked DNA substrate
分子名称: ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ...
著者Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D.
登録日2013-11-11
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites.
Nature, 508, 2014
4CEI
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BU of 4cei by Molmil
Crystal structure of ADPNP-bound AddAB with a forked DNA substrate
分子名称: ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ...
著者Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D.
登録日2013-11-11
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites.
Nature, 508, 2014
4CEJ
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BU of 4cej by Molmil
Crystal structure of AddAB-DNA-ADPNP complex at 3 Angstrom resolution
分子名称: ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ...
著者Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D.
登録日2013-11-11
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites.
Nature, 508, 2014
5NGF
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BU of 5ngf by Molmil
Crystal structure of USP7 in complex with the covalent inhibitor, FT827
分子名称: 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
著者Krajewski, W.W, Turnbull, A.P, Ioannidis, S, Kessler, B.M, Komander, D.
登録日2017-03-17
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
7ZUS
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BU of 7zus by Molmil
Crystal structure of ternary complex of Pol theta polymerase domain
分子名称: 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'), ...
著者Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A.
登録日2022-05-13
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献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
7ZX1
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BU of 7zx1 by Molmil
Crystal structure of Pol theta polymerase domain in complex with compound 22
分子名称: (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'), ...
著者Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A.
登録日2022-05-19
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.829 Å)
主引用文献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
7ZX0
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BU of 7zx0 by Molmil
Crystal structure of Pol theta polymerase domain in complex with compound 5
分子名称: 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'), ...
著者Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A.
登録日2022-05-19
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献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
5NGE
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BU of 5nge by Molmil
Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671
分子名称: 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
著者Turnbull, A.P, Krajewski, W.W, Ioannidis, S, Kessler, B.M, Komander, D.
登録日2017-03-17
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
2WGS
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BU of 2wgs by Molmil
Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor.
分子名称: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1
著者Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L.
登録日2009-04-27
公開日2009-09-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009
2WHI
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BU of 2whi by Molmil
Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor and L-methionine-S- sulfoximine phosphate.
分子名称: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ...
著者Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L.
登録日2009-05-05
公開日2009-09-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009
2OJW
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BU of 2ojw by Molmil
Crystal structure of human glutamine synthetase in complex with ADP and phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2007-01-15
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design.
J.Mol.Biol., 375, 2008
2QC8
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BU of 2qc8 by Molmil
Crystal structure of human glutamine synthetase in complex with ADP and methionine sulfoximine phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Glutamine synthetase, ...
著者Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2007-06-19
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design.
J.Mol.Biol., 375, 2008
3U44
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BU of 3u44 by Molmil
Crystal structure of AddAB-DNA complex
分子名称: ATP-dependent helicase/deoxyribonuclease subunit B, ATP-dependent helicase/nuclease subunit A, DNA (36-MER), ...
著者Saikrishnan, K, Krajewski, W, Wigley, D.
登録日2011-10-07
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献Insights into Chi recognition from the structure of an AddAB-type helicase-nuclease complex.
Embo J., 31, 2012
3U4Q
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BU of 3u4q by Molmil
Structure of AddAB-DNA complex at 2.8 angstroms
分子名称: 1,2-ETHANEDIOL, ATP-dependent helicase/deoxyribonuclease subunit B, ATP-dependent helicase/nuclease subunit A, ...
著者Saikrishnan, K, Krajewski, W, Wigley, D.
登録日2011-10-10
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Insights into Chi recognition from the structure of an AddAB-type helicase-nuclease complex.
Embo J., 31, 2012
3ZXR
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BU of 3zxr by Molmil
Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (3-(2-tert-butyl- 5-(pyridin-4-yl)-1H-imidazol-4-yl)quinoline) and L-methionine-S- sulfoximine phosphate.
分子名称: 3-(2-TERT-BUTYL-5-(PYRIDIN-4-YL)-1H-IMIDAZOL-4-YL)QUINOLINE, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ...
著者Nilsson, M.T, Mowbray, S.L.
登録日2011-08-15
公開日2012-04-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Trisubstituted Imidazoles as Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors.
J.Med.Chem., 55, 2012
3ZXV
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BU of 3zxv by Molmil
Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (4-(2-tert-butyl- 4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl)pyridin-2-amine) and L- methionine-S-sulfoximine phosphate
分子名称: 4-(2-TERT-BUTYL-4-(6-METHOXYNAPHTHALEN-2-YL)-3H-IMIDAZOL-4-YL)PYRIDIN-2-AMINE, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ...
著者Nilsson, M.T, Mowbray, S.L.
登録日2011-08-16
公開日2012-04-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Trisubstituted Imidazoles as Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors.
J.Med.Chem., 55, 2012
4ACF
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE IN COMPLEX WITH IMIDAZOPYRIDINE INHIBITOR ((4-(6-BROMO-3-(BUTYLAMINO)IMIDAZO(1,2-A)PYRIDIN-2-YL)PHENOXY) ACETIC ACID) AND L-METHIONINE-S-SULFOXIMINE PHOSPHATE.
分子名称: CHLORIDE ION, GLUTAMINE SYNTHETASE 1, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ...
著者Nilsson, M.T, Mowbray, S.L.
登録日2011-12-15
公開日2012-10-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis, Biological Evaluation and X-Ray Crystallographic Studies of Imidazo(1,2-A)Pyridine-Based Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors
Medchemcomm, 3, 2012

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