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PDB: 150 件

3V80
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Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-O-Propargylamino-5'-deoxyadenosine
分子名称: 5'-O-prop-2-yn-1-yladenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
登録日2011-12-22
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.0301 Å)
主引用文献Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
3V7W
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Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-azido-5'-deoxyadenosine
分子名称: 5'-azido-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
登録日2011-12-22
公開日2012-03-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.0102 Å)
主引用文献Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
3V8M
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Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with 5'-azido-8-bromo-5'-deoxyadenosine
分子名称: 5'-azido-8-bromo-5'-deoxyadenosine, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1
著者Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
登録日2011-12-23
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
3V8Q
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BU of 3v8q by Molmil
Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with 5'-amino-5'-deoxyadenosine
分子名称: 5'-amino-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
登録日2011-12-23
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
3R2J
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Crystal Structure of PnC1 from L. infantum in complex with nicotinate
分子名称: Alpha/beta-hydrolase-like protein, CHLORIDE ION, NICOTINIC ACID, ...
著者Gazanion, E, Garcia, D, Guichou, J.-F, Labesse, G, Sereno, D, Vergnes, B.
登録日2011-03-14
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献The Leishmania nicotinamidase is essential for NAD(+) production and parasite proliferation.
Mol.Microbiol., 82, 2011
3V8P
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BU of 3v8p by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a new di-adenosine inhibitor formed in situ
分子名称: 2-[6-azanyl-9-[(2R,3R,4S,5R)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-N-[[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1
著者Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
登録日2011-12-23
公開日2012-03-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2901 Å)
主引用文献Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
3V7Y
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BU of 3v7y by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-N-Propargylamino-5'-deoxyadenosine
分子名称: 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1
著者Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
登録日2011-12-22
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
6FN5
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Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Gelin, M, Labesse, G.
登録日2018-02-02
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献None
To be published
6RBT
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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
6RC0
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BU of 6rc0 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 8-bromanyl-9-[(2~{R})-oxan-2-yl]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 (2.75 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RR2
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Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 9-[(2~{S})-oxan-2-yl]purin-6-amine, CITRIC ACID, ...
著者Gelin, M, Labesse, G.
登録日2019-05-16
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RG8
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BU of 6rg8 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{H}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-16
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
6RGC
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BU of 6rgc by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RG6
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BU of 6rg6 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RG7
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BU of 6rg7 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{H}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RGA
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BU of 6rga by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
分子名称: (2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RGB
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BU of 6rgb by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBR
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BU of 6rbr by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 8-bromanyl-9-ethyl-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 (2.06 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC2
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BU of 6rc2 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 8-methyl-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 (2.048 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6EWX
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BU of 6ewx by Molmil
Structure of Pragmin pseudo-kinase reveals a dimerization mechanism to regulate protein tyrosine phosphorylation and nuclear transcription
分子名称: PEAK1-related kinase-activating pseudokinase 1, SULFATE ION
著者Gelin, M, Allemand, F, Fournet, A, Labesse, G.
登録日2017-11-06
公開日2018-01-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.771 Å)
主引用文献Dimerization of the Pragmin Pseudo-Kinase Regulates Protein Tyrosine Phosphorylation.
Structure, 26, 2018
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
6RG9
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BU of 6rg9 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6FJB
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BU of 6fjb by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: 5'-O-prop-2-yn-1-yladenosine, Mitogen-activated protein kinase 1, SULFATE ION
著者Gelin, M, Labesse, G.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of ERK2 in complex with an adenosine derivative
To be published
6RGD
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BU of 6rgd by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 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

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