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4CVN
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BU of 4cvn by Molmil
Structure of the Fap7-Rps14 complex
分子名称: 30S RIBOSOMAL PROTEIN S11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Loch, J, Blaud, M, Rety, S, Lebaron, S, Deschamps, P, Bareille, J, Jombart, J, Robert-Paganin, J, Delbos, L, Chardon, F, Zhang, E, Charenton, C, Tollervey, D, Leulliot, N.
登録日2014-03-28
公開日2014-05-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.121 Å)
主引用文献RNA Mimicry by the Fap7 Adenylate Kinase in Ribosome Biogenesis
Plos Biol., 12, 2014
4UCU
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BU of 4ucu by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCT
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BU of 4uct by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCV
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BU of 4ucv by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCO
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BU of 4uco by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCR
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BU of 4ucr by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCS
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BU of 4ucs by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
3PHN
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BU of 3phn by Molmil
Crystal structure of wild-type onconase with resolution 1.46 A
分子名称: ACETATE ION, Protein P-30, SULFATE ION
著者Kurpiewska, K, Torrent, G, Ribo, M, Vilanova, M, Loch, J, Lewinski, K.
登録日2010-11-04
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure of Rana pipiens wild-type onconase at resolution 1.46 A
To be Published
3U00
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BU of 3u00 by Molmil
Crystal structure of wild-type onconase at 1.65 A resolution
分子名称: PHOSPHATE ION, Protein P-30
著者Kurpiewska, K, Torrent, G, Ribo, M, Vilanova, M, Loch, J, Lewinski, K.
登録日2011-09-28
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of wild-type onconase at 1.65 A resolution
To be Published
6T44
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BU of 6t44 by Molmil
Ovine lactoglobulin complex with decanol
分子名称: Beta-lactoglobulin-1/B, DECAN-1-OL
著者Loch, J.I, Kopec, M, Lewinski, K.
登録日2019-10-12
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational flexibility and ligand binding properties of ovine beta-lactoglobulin.
Acta Biochim.Pol., 66, 2019
6T42
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BU of 6t42 by Molmil
Bovine lactoglobulin complex with decanol
分子名称: Beta-lactoglobulin, DECAN-1-OL
著者Loch, J.I, Kopec, M, Lewinski, K.
登録日2019-10-11
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conformational flexibility and ligand binding properties of ovine beta-lactoglobulin.
Acta Biochim.Pol., 66, 2019
7BGX
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BU of 7bgx by Molmil
Mutant F105L of recombinant beta-lactoglobulin
分子名称: Beta-lactoglobulin, GLYCEROL, SULFATE ION
著者Loch, J.I, Wrobel, P, Lewinski, K.
登録日2021-01-08
公開日2021-01-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7BF8
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BU of 7bf8 by Molmil
Mutant I56F of recombinant bovine beta-lactoglobulin in complex with tetracaine
分子名称: Beta-lactoglobulin, SULFATE ION, Tetracaine
著者Loch, J.I, Kaczor, K, Lewinski, K.
登録日2021-01-01
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7BF7
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BU of 7bf7 by Molmil
Mutant L58F of recombinant bovine beta-lactoglobulin in complex with tetracaine
分子名称: Beta-lactoglobulin, SULFATE ION, Tetracaine
著者Loch, J.I, Kaczor, K, Lewinski, K.
登録日2021-01-01
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7BGA
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BU of 7bga by Molmil
Mutant F105A of recombinant beta-lactoglobulin in complex with endogenous ligand
分子名称: Beta-lactoglobulin, LAURIC ACID, SULFATE ION
著者Loch, J.I, Lazinska, I, Lewinski, K.
登録日2021-01-06
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7BGZ
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BU of 7bgz by Molmil
Mutant L39K of recombinant beta-lactoglobulin in complex with endogenous ligand
分子名称: 1,2-ETHANEDIOL, Beta-lactoglobulin, DECANOIC ACID
著者Loch, J.I, Siuda, M.K, Lewinski, K.
登録日2021-01-09
公開日2021-01-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7BF9
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BU of 7bf9 by Molmil
Mutant M107L of recombinant bovine beta-lactoglobulin in complex with tetracaine
分子名称: Beta-lactoglobulin, Tetracaine
著者Loch, J.I, Gotkowski, M, Lewinski, K.
登録日2021-01-01
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7BH0
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BU of 7bh0 by Molmil
Mutant L39Y of recombinant beta-lactoglobulin in complex with endogenous ligand
分子名称: Beta-lactoglobulin, CHLORIDE ION, LAURIC ACID
著者Loch, J.I, Siuda, M.K, Lewinski, K.
登録日2021-01-09
公開日2021-01-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
3UEW
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BU of 3uew by Molmil
Bovine beta-lactoglobulin complex with palmitic acid
分子名称: Beta-lactoglobulin, ETHANOL, PALMITIC ACID
著者Loch, J, Lewinski, K.
登録日2011-10-31
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bovine beta-lactoglobulin complex with palmitic acid
Int.J.Biol.Macromol., 50, 2012
3UEX
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BU of 3uex by Molmil
Bovine beta-lactoglobulin complex with stearic acid
分子名称: Beta-lactoglobulin, ETHANOL, STEARIC ACID
著者Loch, J, Lewinski, K.
登録日2011-10-31
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bovine beta-lactoglobulin complex with stearic acid
Int.J.Biol.Macromol., 50, 2012
3UEU
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BU of 3ueu by Molmil
Bovine beta-lactoglobulin complex with lauric acid
分子名称: Beta-lactoglobulin, CHLORIDE ION, LAURIC ACID
著者Loch, J, Lewinski, K.
登録日2011-10-31
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bovine beta-lactoglobulin complex with lauric acid
Int.J.Biol.Macromol., 50, 2012
3UEV
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BU of 3uev by Molmil
Bovine beta-lactoglobulin complex with myristic acid
分子名称: Beta-lactoglobulin, GLYCEROL, MYRISTIC ACID
著者Loch, J, Lewinski, K.
登録日2011-10-31
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bovine beta-lactoglobulin complex with myristic acid
Int.J.Biol.Macromol., 50, 2012
2W4I
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BU of 2w4i by Molmil
Crystal structure of Helicobacter pylori glutamate racemase in complex with D-Glutamate and an inhibitor
分子名称: 1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL, D-GLUTAMIC ACID, GLUTAMATE RACEMASE
著者Lundqvist, T.
登録日2008-11-25
公開日2008-12-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Potent and selective inhibitors of Helicobacter pylori glutamate racemase (MurI): pyridodiazepine amines.
Bioorg. Med. Chem. Lett., 19, 2009
4UFZ
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BU of 4ufz by Molmil
Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE
著者Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J.
登録日2015-03-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.
Bioorg.Med.Chem.Lett., 25, 2015
4HEJ
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BU of 4hej by Molmil
Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK): Compund 16
分子名称: 5-methyl-1-[(3S)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione, Thymidylate kinase
著者Martinez-Botella, G, Breen, J, Duffy, J, Dumas, J, Geng, B, Gowers, I, Green, O, Guler, S, Hentemann, M, Hernandez-Juan, F, Joseph-McCarthy, D, Kawatkar, S, Larsen, N, Lazari, O, Loch, J, Macritchie, J.
登録日2012-10-03
公開日2012-10-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK).
J.Med.Chem., 55, 2012

 

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