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5DHT
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BU of 5dht by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor
分子名称: 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G.
登録日2015-08-31
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
5DHR
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Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor
分子名称: 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G.
登録日2015-08-31
公開日2016-09-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
5DHP
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Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor
分子名称: 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G.
登録日2015-08-31
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
5DHQ
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BU of 5dhq by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor
分子名称: 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G.
登録日2015-08-31
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
5DHU
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BU of 5dhu by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor
分子名称: 5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G.
登録日2015-08-31
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
5DHS
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BU of 5dhs by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor
分子名称: 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G.
登録日2015-08-31
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
2F4X
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BU of 2f4x by Molmil
NMR Solution of HIV-1 Lai Kissing Complex
分子名称: 5'-R(P*GP*GP*UP*UP*GP*CP*UP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP*CP*AP*AP*C)-3'
著者Kieken, F, Paquet, F, Brule, F, Paoletti, J, Lancelot, G.
登録日2005-11-24
公開日2006-02-28
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A new NMR solution structure of the SL1 HIV-1Lai loop-loop dimer
Nucleic Acids Res., 34, 2006
1JU0
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NMR solution structure of a DNA kissing complex
分子名称: 5'-D(*CP*TP*TP*GP*CP*TP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP*CP*AP*AP*G)-3'
著者Barbault, F, Huynh-Dinh, T, Paoletti, J, Lancelot, G.
登録日2001-08-23
公開日2002-08-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A new peculiar DNA structure: NMR solution structure of a DNA kissing complex.
J.Biomol.Struct.Dyn., 19, 2002
1JTJ
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BU of 1jtj by Molmil
Solution structure of HIV-1Lai mutated SL1 hairpin
分子名称: HIV-1Lai SL1
著者Kieken, F, Arnoult, E, Barbault, F, Paquet, F, Huynh-Dinh, T, Paoletti, J, Genest, D, Lancelot, G.
登録日2001-08-21
公開日2002-12-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献HIV-1(Lai) genomic RNA: combined used of NMR and molecular dynamics simulation for studying the structure and internal dynamics of a mutated SL1 hairpin.
EUR.BIOPHYS.J., 31, 2002
1JUA
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BU of 1jua by Molmil
Solution Structure of the Deoxyribose HIV-1Lai Initiation Sequence Stable Dimer
分子名称: 5'-D(*CP*TP*TP*GP*CP*TP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP*CP*AP*AP*G)-3'
著者Barbault, F, Huynh-Dinh, T, Paoletti, J, Lancelot, G.
登録日2001-08-24
公開日2004-01-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A new peculiar DNA structure: NMR solution structure of a DNA kissing complex.
J.Biomol.Struct.Dyn., 19, 2002
6RBQ
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BU of 6rbq by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: CITRIC ACID, NAD kinase 1, ~{S}-[4-(6-aminopurin-9-yl)butyl] ethanethioate
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.236 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC1
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BU of 6rc1 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-ethyl-8-methyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
4P5E
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BU of 4p5e by Molmil
CRYSTAL STRUCTURE OF HUMAN DNPH1 (RCL) WITH 6-NAPHTHYL-PURINE-RIBOSIDE-MONOPHOSPHATE
分子名称: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, 6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine, CALCIUM ION
著者Padilla, A, Labesse, G, Kaminski, P.A.
登録日2014-03-16
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献6-(Hetero)Arylpurine nucleotides as inhibitors of the oncogenic target DNPH1: Synthesis, structural studies and cytotoxic activities.
Eur.J.Med.Chem., 85C, 2014
4P5D
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BU of 4p5d by Molmil
CRYSTAL STRUCTURE OF RAT DNPH1 (RCL) WITH 6-NAPHTHYL-PURINE-RIBOSIDE-MONOPHOSPHATE
分子名称: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, 6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine, SULFATE ION
著者Padilla, A, Labesse, G, Kaminski, P.A.
登録日2014-03-16
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献6-(Hetero)Arylpurine nucleotides as inhibitors of the oncogenic target DNPH1: Synthesis, structural studies and cytotoxic activities.
Eur.J.Med.Chem., 85C, 2014
1JU1
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BU of 1ju1 by Molmil
Dimer Initiation Sequence of HIV-1Lai Genomic RNA: NMR Solution Structure of the Extended Duplex
分子名称: HIV-1Lai SL1
著者Girard, F, Barbault, F, Lancelot, G.
登録日2001-08-23
公開日2002-08-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Dimer initiation sequence of HIV-1Lai genomic RNA: NMR solution structure of the extended duplex.
J.Biomol.Struct.Dyn., 16, 1999
1XG1
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BU of 1xg1 by Molmil
Solution structure of Myb-domain of human TRF2
分子名称: Telomeric repeat binding factor 2
著者Paquet, F, Meudal, H, Amiard, S, Doudeau, M, Paoletti, J, Giraud-Panis, M.J, Lancelot, G.
登録日2004-09-16
公開日2005-09-27
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR studies of telomeric nucleoprotein complexes involving the Myb-like domain of the human telomeric protein TRF2
C.R.Chimie, 9, 2006
6RC4
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BU of 6rc4 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 2-(6-azanyl-8-methyl-purin-9-yl)ethanol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.278 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBU
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BU of 6rbu by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(2-azidoethyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC3
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BU of 6rc3 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(2-chloroethyl)-8-methyl-purin-6-amine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.315 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBS
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BU of 6rbs by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 8-bromanyl-9-pent-4-ynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.324 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBZ
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Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.318 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBW
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BU of 6rbw by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(4-azidobutyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC6
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BU of 6rc6 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBX
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BU of 6rbx by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBT
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BU of 6rbt by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 8-bromanyl-9-(4-bromanylbutyl)purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020

 

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