3V7U
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![BU of 3v7u by Molmil](/molmil-images/mine/3v7u) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with MTA | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-22 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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3V8N
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![BU of 3v8n by Molmil](/molmil-images/mine/3v8n) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 8-bromo-5'-amino-5'-deoxyadenosine, reacted with a citrate molecule in N site | Descriptor: | 5'-amino-8-bromo-5'-deoxyadenosine, 8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine, CITRIC ACID, ... | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-23 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3801 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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3V8R
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![BU of 3v8r by Molmil](/molmil-images/mine/3v8r) | Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with 5'-amino-8-bromo-5'-deoxyadenosine | Descriptor: | 5'-amino-8-bromo-5'-deoxyadenosine, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1 | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-23 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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3V80
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![BU of 3v80 by Molmil](/molmil-images/mine/3v80) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-O-Propargylamino-5'-deoxyadenosine | Descriptor: | 5'-O-prop-2-yn-1-yladenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-22 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.0301 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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3KF9
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![BU of 3kf9 by Molmil](/molmil-images/mine/3kf9) | Crystal structure of the SdCen/skMLCK complex | Descriptor: | CALCIUM ION, Caltractin, Myosin light chain kinase 2, ... | Authors: | Radu, L, Assairi, L, Blouquit, Y, Durand, D, Miron, S, Charbonnier, J.B, Craescu, C.T. | Deposit date: | 2009-10-27 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural features of the complexes formed by Scherffelia dubia centrin To be Published
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1ZMZ
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![BU of 1zmz by Molmil](/molmil-images/mine/1zmz) | Solution structure of the N-terminal domain (M1-S98) of human centrin 2 | Descriptor: | Centrin-2 | Authors: | Yang, A, Miron, S, Duchambon, P, Assairi, L, Blouquit, Y, Craescu, C.T. | Deposit date: | 2005-05-11 | Release date: | 2006-04-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The N-terminal domain of human centrin 2 has a closed structure, binds calcium with a very low affinity, and plays a role in the protein self-assembly Biochemistry, 45, 2006
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2Q5F
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![BU of 2q5f by Molmil](/molmil-images/mine/2q5f) | Crystal structure of LMNADK1 from Listeria monocytogenes | Descriptor: | (2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-[DITHIOBIS(METHYLENE)]BIS[5-(6-AMINO-9H-PURIN-9-YL)TETRAHYDROFURAN-3,4-DIOL], Probable inorganic polyphosphate/ATP-NAD kinase 1 | Authors: | Poncet-Montange, G, Assairi, L, Arold, S, Pochet, S, Labesse, G. | Deposit date: | 2007-06-01 | Release date: | 2007-08-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | NAD kinases use substrate-assisted catalysis for specific recognition of NAD. J.Biol.Chem., 282, 2007
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4DY6
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![BU of 4dy6 by Molmil](/molmil-images/mine/4dy6) | 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
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3V8P
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![BU of 3v8p by Molmil](/molmil-images/mine/3v8p) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a new di-adenosine inhibitor formed in situ | Descriptor: | 2-[6-azanyl-9-[(2R,3R,4S,5R)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-N-[[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1 | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-23 | Release date: | 2012-03-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2901 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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3V7Y
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![BU of 3v7y by Molmil](/molmil-images/mine/3v7y) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-N-Propargylamino-5'-deoxyadenosine | Descriptor: | 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1 | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-22 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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3V7W
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![BU of 3v7w by Molmil](/molmil-images/mine/3v7w) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-azido-5'-deoxyadenosine | Descriptor: | 5'-azido-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-22 | Release date: | 2012-03-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.0102 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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3V8M
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![BU of 3v8m by Molmil](/molmil-images/mine/3v8m) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with 5'-azido-8-bromo-5'-deoxyadenosine | Descriptor: | 5'-azido-8-bromo-5'-deoxyadenosine, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1 | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-23 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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3V8Q
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![BU of 3v8q by Molmil](/molmil-images/mine/3v8q) | Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with 5'-amino-5'-deoxyadenosine | Descriptor: | 5'-amino-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-23 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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5EJG
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![BU of 5ejg by Molmil](/molmil-images/mine/5ejg) | |
5EJH
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![BU of 5ejh by Molmil](/molmil-images/mine/5ejh) | Crystal structure of NAD kinase V98S mutant from Listeria monocytogenes | Descriptor: | CITRIC ACID, NAD kinase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Poncet-Montange, G, Assairi, L, Gelin, M, Pochet, S, Labesse, G. | Deposit date: | 2015-11-01 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of NAD kinase 1 from Listeria monocytogenes: V98S mutant to be published
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5EJI
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![BU of 5eji by Molmil](/molmil-images/mine/5eji) | Crystal structure of NAD kinase W78F mutant from Listeria monocytogenes in complex with NADP/Mn++/PPi | Descriptor: | CITRIC ACID, MANGANESE (II) ION, NAD kinase 1, ... | Authors: | Poncet-Montange, G, Assairi, L, Gelin, M, Pochet, S, Labesse, G. | Deposit date: | 2015-11-01 | Release date: | 2016-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Crystal structure of NAD kinase W78F mutant from Listeria monocytogenes in complex with NADP/Mn++/PPi to be published
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5EJF
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![BU of 5ejf by Molmil](/molmil-images/mine/5ejf) | |
2BNF
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![BU of 2bnf by Molmil](/molmil-images/mine/2bnf) | The structure of E. coli UMP kinase in complex with UTP | Descriptor: | GLYCEROL, URIDINE 5'-TRIPHOSPHATE, URIDYLATE KINASE | Authors: | Briozzo, P, Evrin, C, Meyer, P, Assairi, L, Joly, N, Barzu, O, Gilles, A.M. | Deposit date: | 2005-03-23 | Release date: | 2005-04-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of Escherichia Coli Ump Kinase Differs from that of Other Nucleoside Monophosphate Kinases and Sheds New Light on Enzyme Regulation. J.Biol.Chem., 280, 2005
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2BNE
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![BU of 2bne by Molmil](/molmil-images/mine/2bne) | The structure of E. coli UMP kinase in complex with UMP | Descriptor: | GLYCEROL, URIDINE-5'-MONOPHOSPHATE, URIDYLATE KINASE | Authors: | Briozzo, P, Evrin, C, Meyer, P, Assairi, L, Joly, N, Barzu, O, Gilles, A.M. | Deposit date: | 2005-03-23 | Release date: | 2005-04-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Escherichia Coli Ump Kinase Differs from that of Other Nucleoside Monophosphate Kinases and Sheds New Light on Enzyme Regulation. J.Biol.Chem., 280, 2005
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2BND
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![BU of 2bnd by Molmil](/molmil-images/mine/2bnd) | The structure of E. coli UMP kinase in complex with UDP | Descriptor: | GLYCEROL, PYROPHOSPHATE 2-, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Briozzo, P, Evrin, C, Meyer, P, Assairi, L, Joly, N, Barzu, O, Gilles, A.M. | Deposit date: | 2005-03-23 | Release date: | 2005-04-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Escherichia Coli Ump Kinase Differs from that of Other Nucleoside Monophosphate Kinases and Sheds New Light on Enzyme Regulation. J.Biol.Chem., 280, 2005
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5DHT
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![BU of 5dht by Molmil](/molmil-images/mine/5dht) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 5'-azido-8-[(2-{[2-(3-bromophenyl)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: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.59 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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5DHS
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![BU of 5dhs by Molmil](/molmil-images/mine/5dhs) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)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 (2.62 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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5DHU
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![BU of 5dhu by Molmil](/molmil-images/mine/5dhu) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)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 (2.33 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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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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