3NWY
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4DQW
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![BU of 4dqw by Molmil](/molmil-images/mine/4dqw) | 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
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2W1Z
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![BU of 2w1z by Molmil](/molmil-images/mine/2w1z) | 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
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5AHN
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![BU of 5ahn by Molmil](/molmil-images/mine/5ahn) | 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
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5AHL
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![BU of 5ahl by Molmil](/molmil-images/mine/5ahl) | 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
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5AHM
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![BU of 5ahm by Molmil](/molmil-images/mine/5ahm) | 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
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7R4K
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![BU of 7r4k by Molmil](/molmil-images/mine/7r4k) | 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: | 2024-05-01 | 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
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7R4J
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![BU of 7r4j by Molmil](/molmil-images/mine/7r4j) | 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: | 2024-05-01 | 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
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7R4M
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![BU of 7r4m by Molmil](/molmil-images/mine/7r4m) | 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: | 2024-05-01 | 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
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7R4L
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![BU of 7r4l by Molmil](/molmil-images/mine/7r4l) | 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: | 2024-05-01 | 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
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7QBJ
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![BU of 7qbj by Molmil](/molmil-images/mine/7qbj) | 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
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7QEM
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![BU of 7qem by Molmil](/molmil-images/mine/7qem) | 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
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7QDX
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![BU of 7qdx by Molmil](/molmil-images/mine/7qdx) | 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
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7BIX
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![BU of 7bix by Molmil](/molmil-images/mine/7bix) | 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
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2I2A
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![BU of 2i2a by Molmil](/molmil-images/mine/2i2a) | 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
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4FYH
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![BU of 4fyh by Molmil](/molmil-images/mine/4fyh) | 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
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4FYK
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![BU of 4fyk by Molmil](/molmil-images/mine/4fyk) | 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
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4FYI
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![BU of 4fyi by Molmil](/molmil-images/mine/4fyi) | 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
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6GK9
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![BU of 6gk9 by Molmil](/molmil-images/mine/6gk9) | 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
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6GJV
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5TKM
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![BU of 5tkm by Molmil](/molmil-images/mine/5tkm) | Crystal structure of human APOBEC3B N-terminal Domain | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3B, ZINC ION | Authors: | Xiao, X, Yang, H, Arutiunian, V, Besse, G, Morimoto, C, Zirkle, B, Chen, X.S. | Deposit date: | 2016-10-07 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural determinants of APOBEC3B non-catalytic domain for molecular assembly and catalytic regulation. Nucleic Acids Res., 45, 2017
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5DHR
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![BU of 5dhr by Molmil](/molmil-images/mine/5dhr) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
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5DHP
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![BU of 5dhp by Molmil](/molmil-images/mine/5dhp) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
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5DHQ
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![BU of 5dhq by Molmil](/molmil-images/mine/5dhq) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
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6RBQ
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