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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
3QYZ
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BU of 3qyz by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: 5'-azido-8-bromo-5'-deoxyadenosine, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G.
Deposit date:2011-03-04
Release date:2011-08-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
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
1OW7
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BU of 1ow7 by Molmil
Paxillin LD4 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase
Descriptor: Focal adhesion kinase 1, Paxillin
Authors:Hoellerer, M.K, Noble, M.E.M, Labesse, G, Werner, J.M, Arold, S.T.
Deposit date:2003-03-28
Release date:2003-10-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Recognition of Paxillin LD Motifs by the Focal Adhesion Targeting Domain
Structure, 11, 2003
3QYW
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BU of 3qyw by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: 6-(3-bromophenyl)-7H-purin-2-amine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G.
Deposit date:2011-03-04
Release date:2011-08-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
1OW8
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BU of 1ow8 by Molmil
Paxillin LD2 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase
Descriptor: Focal adhesion kinase 1, Paxillin
Authors:Hoellerer, M.K, Noble, M.E.M, Labesse, G, Werner, J.M, Arold, S.T.
Deposit date:2003-03-28
Release date:2003-10-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular Recognition of Paxillin LD Motifs by the Focal Adhesion Targeting Domain
Structure, 11, 2003
3R2J
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BU of 3r2j by Molmil
Crystal Structure of PnC1 from L. infantum in complex with nicotinate
Descriptor: Alpha/beta-hydrolase-like protein, CHLORIDE ION, NICOTINIC ACID, ...
Authors:Gazanion, E, Garcia, D, Guichou, J.-F, Labesse, G, Sereno, D, Vergnes, B.
Deposit date:2011-03-14
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:The Leishmania nicotinamidase is essential for NAD(+) production and parasite proliferation.
Mol.Microbiol., 82, 2011
4HX9
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BU of 4hx9 by Molmil
Designed Phosphodeoxyribosyltransferase
Descriptor: Nucleoside deoxyribosyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL
Authors:Kaminski, P.A, Labesse, G.
Deposit date:2012-11-09
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Phosphodeoxyribosyltransferases, designed enzymes for deoxyribonucleotides synthesis.
J.Biol.Chem., 288, 2013
2LQJ
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BU of 2lqj by Molmil
Solution structure of the C-terminal domain of the MgtC protein from Mycobacterium tuberculosis
Descriptor: Mg2+ transport protein
Authors:Yang, M, Yang, Y, Labesse, G, Blanc-Potard, A.
Deposit date:2012-03-07
Release date:2012-03-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The C-Terminal Domain of the Virulence Factor MgtC Is a Divergent ACT Domain.
J.Bacteriol., 194, 2012
2KLH
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BU of 2klh by Molmil
NMR Structure of RCL in complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, c-Myc-responsive protein Rcl
Authors:Padilla, A, Yang, Y, Labesse, G, Zhang, C, Kaminski, P.A.
Deposit date:2009-07-02
Release date:2009-10-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural characterization of the mammalian deoxynucleotide N-hydrolase Rcl and its stabilizing interactions with two inhibitors
J.Mol.Biol., 394, 2009
6FQ7
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BU of 6fq7 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: 4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-02-13
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:None
To be published
6FMA
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BU of 6fma by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: 3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-01-30
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.667 Å)
Cite:None
To be published
6FR1
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BU of 6fr1 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:2018-02-15
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:None
To be published
6FN5
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BU of 6fn5 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:2018-02-02
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:None
To be published
6FXV
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BU of 6fxv 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:2018-03-09
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:None
To be published
6FLV
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BU of 6flv 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:2018-01-29
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:None
To be published
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
1CKE
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BU of 1cke by Molmil
CMP KINASE FROM ESCHERICHIA COLI FREE ENZYME STRUCTURE
Descriptor: PROTEIN (CYTIDINE MONOPHOSPHATE KINASE), SULFATE ION
Authors:Briozzo, P, Golinelli-Pimpaneau, B.
Deposit date:1998-09-24
Release date:1999-09-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of escherichia coli CMP kinase alone and in complex with CDP: a new fold of the nucleoside monophosphate binding domain and insights into cytosine nucleotide specificity.
Structure, 6, 1998
7BES
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BU of 7bes by Molmil
CryoEM structure of Mycobacterium tuberculosis UMP Kinase (UMPK) in complex with UDP and UTP
Descriptor: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
Authors:Bous, J, Trapani, S, Walter, P, Bron, P, Munier-Lehmann, H.
Deposit date:2020-12-24
Release date:2022-01-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022

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