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2W1Z
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BU of 2w1z by Molmil
ROP2 from Toxoplasma gondii: A virulence factor with a protein- kinase fold and no enzymatic activity.
Descriptor: ROP2, SULFATE ION
Authors:Labesse, G, Gelin, M, Bessin, Y, Lebrun, M, Arold, S.T, Dubremetz, J.-F.
Deposit date:2008-10-21
Release date:2008-12-09
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Rop2 from Toxoplasma Gondii: A Virulence Factor with a Protein-Kinase Fold and No Enzymatic Activity.
Structure, 17, 2009
4DQW
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BU of 4dqw by Molmil
Crystal Structure Analysis of PA3770
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Inosine-5'-monophosphate dehydrogenase, ...
Authors:Labesse, G, Munier-Lehmann, H.
Deposit date:2012-02-16
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:MgATP Regulates Allostery and Fiber Formation in IMPDHs.
Structure, 21, 2013
3NWY
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BU of 3nwy by Molmil
Structure and allosteric regulation of the uridine monophosphate kinase from Mycobacterium tuberculosis
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
Authors:Labesse, G, Munier-Lehmann, H.
Deposit date:2010-07-12
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural and functional characterization of the Mycobacterium tuberculosis uridine monophosphate kinase: insights into the allosteric regulation.
Nucleic Acids Res., 39, 2011
5AHN
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BU of 5ahn by Molmil
IMP-bound form of the D199N mutant of IMPDH from Pseudomonas aeruginosa
Descriptor: INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, MAGNESIUM ION
Authors:Labesse, G, Alexandre, T, Gelin, M, Haouz, A, Munier-Lehmann, H.
Deposit date:2015-02-06
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.652 Å)
Cite:Crystallographic Studies of Two Variants of Pseudomonas Aeruginosa Impdh with Impaired Allosteric Regulation
Acta Crystallogr.,Sect.D, 71, 2015
5AHL
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BU of 5ahl by Molmil
Apo-form of the DeltaCBS mutant of IMPDH from Pseudomonas aeruginosa
Descriptor: INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, SODIUM ION
Authors:Labesse, G, Alexandre, T, Gelin, M, Haouz, A, Munier-Lehmann, H.
Deposit date:2015-02-06
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Crystallographic Studies of Two Variants of Pseudomonas Aeruginosa Impdh with Impaired Allosteric Regulation
Acta Crystallogr.,Sect.D, 71, 2015
5AHM
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BU of 5ahm by Molmil
IMP-bound form of the DeltaCBS mutant of IMPDH from Pseudomonas aeruginosa
Descriptor: INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, PHOSPHATE ION
Authors:Labesse, G, Alexandre, T, Gelin, M, Haouz, A, Munier-Lehmann, H.
Deposit date:2015-02-06
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystallographic Studies of Two Variants of Pseudomonas Aeruginosa Impdh with Impaired Allosteric Regulation
Acta Crystallogr.,Sect.D, 71, 2015
7QBJ
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BU of 7qbj by Molmil
bacterial IMPDH chimera
Descriptor: Inosine-5'-monophosphate dehydrogenase
Authors:Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A.
Deposit date:2021-11-19
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
7QDX
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BU of 7qdx by Molmil
bacterial IMPDH chimera
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, MAGNESIUM ION
Authors:Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A.
Deposit date:2021-11-30
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
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
7QEM
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BU of 7qem by Molmil
bacterial IMPDH chimera
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
Authors:Labesse, G, Gelin, M, Gedeon, A, Haouz, A, Munier-Lehmann, H.
Deposit date:2021-12-03
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
6GK9
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BU of 6gk9 by Molmil
Inhibited structure of IMPDH from Pseudomonas aeruginosa
Descriptor: (5~{S})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile, Inosine-5'-monophosphate dehydrogenase, SULFATE ION
Authors:Labesse, G, Alexandre, T, Haouz, A, Munier-Lehmann, H.
Deposit date:2018-05-18
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:First-in-class allosteric inhibitors of bacterial IMPDHs.
Eur J Med Chem, 167, 2019
6GJV
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BU of 6gjv by Molmil
apo-structure of IMPDH from Pseudomonas aeruginosa
Descriptor: Inosine-5'-monophosphate dehydrogenase
Authors:Labesse, G, Haouz, A, Alexandre, T, Munier-Lehmann, H.
Deposit date:2018-05-17
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:First-in-class allosteric inhibitors of bacterial IMPDHs.
Eur J Med Chem, 167, 2019
4FYH
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BU of 4fyh by Molmil
Crystal structure of rcl with phospho-triciribine
Descriptor: 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, Deoxyribonucleoside 5'-monophosphate N-glycosidase, SULFATE ION
Authors:Labesse, G, Padilla, A, Kaminski, P.A.
Deposit date:2012-07-04
Release date:2013-01-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structure of the oncoprotein Rcl bound to three nucleotide analogues.
Acta Crystallogr.,Sect.D, 69, 2013
4FYK
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BU of 4fyk by Molmil
Crystal structure of rcl with 5'-phiosphorothioate-adenosine
Descriptor: ADENOSINE -5'-THIO-MONOPHOSPHATE, Deoxyribonucleoside 5'-monophosphate N-glycosidase, SULFATE ION
Authors:Labesse, G, Padilla, A, Kaminski, P.A.
Deposit date:2012-07-04
Release date:2013-01-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure of the oncoprotein Rcl bound to three nucleotide analogues.
Acta Crystallogr.,Sect.D, 69, 2013
4FYI
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BU of 4fyi by Molmil
Crystal structure of rcl with 6-cyclopentyl-AMP
Descriptor: Deoxyribonucleoside 5'-monophosphate N-glycosidase, N-cyclopentyladenosine 5'-(dihydrogen phosphate)
Authors:Labesse, G, Padilla, A, Kaminski, P.A.
Deposit date:2012-07-04
Release date:2013-01-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of the oncoprotein Rcl bound to three nucleotide analogues.
Acta Crystallogr.,Sect.D, 69, 2013
7BIX
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BU of 7bix by Molmil
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (C2 form)
Descriptor: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
Authors:Labesse, G, Walter, P, Haouz, A, Mechaly, A.E, Munier-Lehmann, H.
Deposit date:2021-01-13
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
2I2A
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BU of 2i2a by Molmil
Crystal structure of LmNADK1 from Listeria monocytogenes
Descriptor: GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable inorganic polyphosphate/ATP-NAD kinase 1
Authors:Labesse, G.
Deposit date:2006-08-16
Release date:2007-08-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NAD kinases use substrate-assisted catalysis for specific recognition of NAD.
J.Biol.Chem., 282, 2007
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
4U77
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BU of 4u77 by Molmil
BTB domain from Drosophila CP190
Descriptor: Centrosome-associated zinc finger protein CP190, DIMETHYL SULFOXIDE, GLYCEROL
Authors:Allemand, F, Cohen-Gonsaud, M, Labesse, G, Nollmann, M.
Deposit date:2014-07-30
Release date:2014-08-13
Last modified:2014-10-15
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Chromatin Insulator Factors Involved in Long-Range DNA Interactions and Their Role in the Folding of the Drosophila Genome.
Plos Genet., 10, 2014
4DY6
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BU of 4dy6 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 2'-phosphate bis(adenosine)-5'-diphosphate
Descriptor: CITRIC ACID, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, inorganic polyphosphate/ATP-NAD kinase 1
Authors:Poncet-Montange, G, Assairi, L, Arold, S, Pochet, S, Labesse, G.
Deposit date:2012-02-28
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:NAD kinases use substrate-assisted catalysis for specific recognition of NAD.
J.Biol.Chem., 282, 2007
7P3V
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BU of 7p3v by Molmil
B-Raf V600E structure bound to a new inhibitor
Descriptor: Serine/threonine-protein kinase B-raf, ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide
Authors:Schneider, M, Gelin, M, Cohen-Gonsaud, M, Labesse, G.
Deposit date:2021-07-08
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding.
J.Med.Chem., 65, 2022
7ZZC
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BU of 7zzc by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative
Descriptor: 2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethylsulfonylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid, CITRIC ACID, GLYCEROL, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2022-05-25
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 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

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