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4N57
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BU of 4n57 by Molmil
Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, APH(2'')-Id, MAGNESIUM ION
Authors:Kaplan, E, Leban, N, Chaloin, L, Guichou, J.-F, Lionne, C.
Deposit date:2013-10-09
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex
To be Published
2ZGV
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BU of 2zgv by Molmil
Crystal Structure of human phosphoglycerate kinase bound to D-ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Phosphoglycerate kinase 1
Authors:Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
Deposit date:2008-01-26
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
7QVS
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BU of 7qvs by Molmil
Pseudomonas aeruginosa nicotinamide adenine dinucleotide kinase (NADK) structure in complex with NADP
Descriptor: NAD kinase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
Authors:Rahimova, R, Gelin, M, Labesse, G, Lionne, C.
Deposit date:2022-01-23
Release date:2022-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design, synthesis and biological evaluation of a NAD + analogue targeting Pseudomonas aeruginosa NAD kinase.
Febs J., 290, 2023
3C39
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BU of 3c39 by Molmil
Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate
Descriptor: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1
Authors:Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
Deposit date:2008-01-28
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
3C3B
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BU of 3c3b by Molmil
Crystal Structure of human phosphoglycerate kinase bound to D-CDP
Descriptor: CYTIDINE-5'-DIPHOSPHATE, PHOSPHATE ION, Phosphoglycerate kinase 1
Authors:Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
Deposit date:2008-01-28
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
3C3A
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BU of 3c3a by Molmil
Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and L-ADP
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
Deposit date:2008-01-28
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
3C3C
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BU of 3c3c by Molmil
Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and L-CDP
Descriptor: 3-PHOSPHOGLYCERIC ACID, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
Deposit date:2008-01-28
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
7R4J
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BU of 7r4j by Molmil
Crystal structure of human mitochondrial NAD kinase
Descriptor: CALCIUM ION, NAD kinase 2, mitochondrial
Authors:Labesse, G, Mary, C, Gelin, M, Lionne, C.
Deposit date:2022-02-08
Release date:2022-07-06
Last modified:2022-09-14
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
7R4L
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BU of 7r4l by Molmil
Crystal structure of human mitochondrial NAD kinase
Descriptor: FE (III) ION, NAD kinase 2, mitochondrial, ...
Authors:Labesse, G, Mary, C, Gelin, M, Lionne, C.
Deposit date:2022-02-08
Release date:2022-07-06
Last modified:2022-09-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
7R4K
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BU of 7r4k by Molmil
Crystal structure of human mitochondrial NAD kinase
Descriptor: MAGNESIUM ION, NAD kinase 2, mitochondrial, ...
Authors:Labesse, G, Mary, C, Gelin, M, Lionne, C.
Deposit date:2022-02-08
Release date:2022-07-06
Last modified:2022-09-14
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
7R4M
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BU of 7r4m by Molmil
Crystal structure of mitochondrial NAD kinase
Descriptor: CALCIUM ION, NAD kinase 2, mitochondrial, ...
Authors:Labesse, G, Mary, C, Gelin, M, Lionne, C.
Deposit date:2022-02-08
Release date:2022-07-06
Last modified:2022-09-14
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
2Y3I
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BU of 2y3i by Molmil
The structure of the fully closed conformation of human PGK in complex with L-ADP, 3PG and the TSA aluminium tetrafluoride
Descriptor: 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, L-ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Bowler, M.W, Chaloin, L, Lionne, C.
Deposit date:2010-12-21
Release date:2011-04-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Interaction of Human 3-Phosphoglycerate Kinase with its Two Substrates: Is Substrate Antagonism a Kinetic Advantage?
J.Mol.Biol., 409, 2011
2YBE
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BU of 2ybe by Molmil
The structure of the fully closed conformation of human PGK in complex with L-ADP, 3PG and the TSA aluminium tetrafluoride at 2.0 A resolution
Descriptor: 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, L-ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Bowler, M.W, Chaloin, L, Lionne, C.
Deposit date:2011-03-07
Release date:2011-04-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction of Human 3-Phosphoglycerate Kinase with its Two Substrates: Is Substrate Antagonism a Kinetic Advantage?
J.Mol.Biol., 409, 2011
5C4K
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BU of 5c4k by Molmil
APH(2")-IVa in complex with GET (G418) at room temperature
Descriptor: APH(2'')-Id, GENETICIN
Authors:Kaplan, E, Guichou, J.F, Berrou, K, Chaloin, L, Leban, N, Lallemand, P, Barman, T, Serpersu, E.H, Lionne, C.
Deposit date:2015-06-18
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Aminoglycoside binding and catalysis specificity of aminoglycoside 2-phosphotransferase IVa: A thermodynamic, structural and kinetic study.
Biochim.Biophys.Acta, 1860, 2016
5C4L
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BU of 5c4l by Molmil
Conformational alternate of sisomicin in complex with APH(2")-IVa
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, (2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol, APH(2'')-Id
Authors:Kaplan, E, Guichou, J.F, Berrou, K, Chaloin, L, Leban, N, Lallemand, P, Barman, T, Serpersu, E.H, Lionne, C.
Deposit date:2015-06-18
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Aminoglycoside binding and catalysis specificity of aminoglycoside 2-phosphotransferase IVa: A thermodynamic, structural and kinetic study.
Biochim.Biophys.Acta, 1860, 2016
8B47
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BU of 8b47 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a cyclic di-adenosine derivative
Descriptor: (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one, NAD kinase 1, PENTAETHYLENE GLYCOL, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2022-09-20
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria.
Eur.J.Med.Chem., 246, 2023
4H4B
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BU of 4h4b by Molmil
Human cytosolic 5'-nucleotidase II in complex with Anthraquinone-2,6- disulfonic acid
Descriptor: 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Cytosolic purine 5'-nucleotidase, GLYCEROL, ...
Authors:Rhimi, M, Aghajari, N.
Deposit date:2012-09-17
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and characterization of inhibitors of cytoplasmic 5'-nucleotidase cN-II issued from virtual screening.
Biochem Pharmacol, 85, 2013
5CQZ
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BU of 5cqz by Molmil
Human cytosolic 5'-nucleotidase II in complex with 3-(3-Imidazol-1-ylphenyl)-N-(9H-purin-6-yl)benzamide
Descriptor: 1-(biphenyl-3-yl)-1H-imidazole, Cytosolic purine 5'-nucleotidase, GLYCEROL, ...
Authors:Preeti, P, Aghajari, N.
Deposit date:2015-07-22
Release date:2015-12-23
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Noncompetitive Inhibitors of Cytosolic 5'-Nucleotidase II Using a Fragment-Based Approach.
J.Med.Chem., 58, 2015
5CR7
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BU of 5cr7 by Molmil
Human cytosolic 5'-nucleotidase II in complex with N-(9H-Purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide
Descriptor: ACETATE ION, Cytosolic purine 5'-nucleotidase, GLYCEROL, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2015-07-22
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Noncompetitive Inhibitors of Cytosolic 5'-Nucleotidase II Using a Fragment-Based Approach.
J.Med.Chem., 58, 2015
7Q59
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BU of 7q59 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis RNA polymerase holoenzyme dimer comprising sigma factor SigB
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Brodolin, K.
Deposit date:2021-11-03
Release date:2022-11-16
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:Structural basis of the mycobacterial stress-response RNA polymerase auto-inhibition via oligomerization
Nat Commun, 14, 2023
7Q4U
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BU of 7q4u by Molmil
Cryo-EM structure of Mycobacterium tuberculosis RNA polymerase holoenzyme octamer comprising sigma factor SigB
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Brodolin, K.
Deposit date:2021-11-02
Release date:2022-11-16
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (4.39 Å)
Cite:Structural basis of the mycobacterial stress-response RNA polymerase auto-inhibition via oligomerization
Nat Commun, 14, 2023
6Z61
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BU of 6z61 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2020-05-27
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:New Chemical Probe Targeting Bacterial NAD Kinase.
Molecules, 25, 2020
6Z64
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BU of 6z64 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative
Descriptor: (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-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2020-05-27
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:New Chemical Probe Targeting Bacterial NAD Kinase.
Molecules, 25, 2020
6Z65
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BU of 6z65 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative
Descriptor: CITRIC ACID, NAD kinase 1, ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-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]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide
Authors:Gelin, M, Labesse, G.
Deposit date:2020-05-27
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:New Chemical Probe Targeting Bacterial NAD Kinase.
Molecules, 25, 2020
2MMM
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BU of 2mmm by Molmil
Solution structure of the mature form, GK cecropin-like peptide from Ae. aegypti mosquito
Descriptor: K cecropin-like peptide
Authors:Padilla, A, Misse, D.
Deposit date:2014-03-16
Release date:2015-01-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Aedesin: structure and antimicrobial activity against multidrug resistant bacterial strains.
Plos One, 9, 2014

 

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