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PDB: 150 results

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
Descriptor: 9-(2-chloroethyl)-8-methyl-purin-6-amine, CITRIC ACID, GLYCEROL, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.315 Å)
Cite: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
Descriptor: 8-bromanyl-9-pent-4-ynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.324 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBZ
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BU of 6rbz by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.318 Å)
Cite: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
Descriptor: 9-(4-azidobutyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBP
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BU of 6rbp by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(4-azidobutyl)purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.473 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBY
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BU of 6rby by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBO
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BU of 6rbo by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-hex-5-ynylpurin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBV
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BU of 6rbv by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(3-azidopropyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC5
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BU of 6rc5 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-ethyl-8-ethynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.038 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
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
Descriptor: CITRIC ACID, NAD kinase 1, ~{S}-[4-(6-aminopurin-9-yl)butyl] ethanethioate
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.236 Å)
Cite: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
Descriptor: 9-ethyl-8-methyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
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
Descriptor: 2-(6-azanyl-8-methyl-purin-9-yl)ethanol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6FLE
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BU of 6fle by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-01-25
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of ERK2 in complex with an adenosine derivative
To be published
6FJZ
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BU of 6fjz by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Gelin, M, Labesse, G.
Deposit date:2018-01-23
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.864 Å)
Cite:Crystal structure of ERK2 in complex with an adenosine derivative
To be published
6FI6
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BU of 6fi6 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-01-17
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of ERK2 in complex with an adenosine derivative
To be published
4ZSC
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BU of 4zsc by Molmil
Human Cyclophilin D Complexed with an Inhibitor at room temperature
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
Authors:Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F.
Deposit date:2015-05-13
Release date:2015-08-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4ZSD
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BU of 4zsd by Molmil
Human Cyclophilin D Complexed with an Inhibitor at room temperature
Descriptor: 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F.
Deposit date:2015-05-13
Release date:2015-08-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
3QYU
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BU of 3qyu by Molmil
Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature
Descriptor: Peptidyl-prolyl cis-trans isomerase F
Authors:Colliandre, L, Gelin, M, Labesse, G, Guichou, J.-F.
Deposit date:2011-03-04
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
2QVM
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BU of 2qvm by Molmil
The second Ca2+-binding domain of the Na+-Ca2+ exchanger is essential for regulation: crystal structures and mutational analysis
Descriptor: CALCIUM ION, Sodium/calcium exchanger 1
Authors:Chaptal, V, Mercado Besserer, G, Abramson, J, Cascio, D.
Deposit date:2007-08-08
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:The second Ca2+-binding domain of the Na+ Ca2+ exchanger is essential for regulation: crystal structures and mutational analysis
Proc.Natl.Acad.Sci.Usa, 104, 2007
2RVJ
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BU of 2rvj by Molmil
NMR structure of Epithelial splicing regulatory protein 1
Descriptor: Epithelial splicing regulatory protein 1
Authors:Yang, Y, Allemand, F, Guichou, J, Labesse, G.
Deposit date:2015-10-23
Release date:2015-12-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure of Epithelial splicing regulatory protein 1
To be Published
2QVK
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BU of 2qvk by Molmil
The second Ca2+-binding domain of the Na+-Ca2+ exchanger is essential for regulation: crystal structures and mutational analysis
Descriptor: Sodium/calcium exchanger 1
Authors:Chaptal, V, Mercado Besserer, G, Abramson, J, Cascio, D.
Deposit date:2007-08-08
Release date:2007-11-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:The second Ca2+-binding domain of the Na+ Ca2+ exchanger is essential for regulation: crystal structures and mutational analysis
Proc.Natl.Acad.Sci.Usa, 104, 2007
6RGF
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BU of 6rgf by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor
Descriptor: CITRIC ACID, NAD kinase 1, [(2~{R},3~{R},4~{R},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]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor
To Be Published
6RGE
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BU of 6rge by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor
Descriptor: CITRIC ACID, NAD kinase 1, [(2~{R},3~{R},4~{R},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)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor
To Be Published
3H0F
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BU of 3h0f by Molmil
Crystal structure of the human Fyn SH3 R96W mutant
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Proto-oncogene tyrosine-protein kinase Fyn
Authors:Ponchon, L, Hoh, F, Labesse, G, Dumas, C, Arold, S.T.
Deposit date:2009-04-09
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021

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