4ZSD
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![BU of 4zsd by Molmil](/molmil-images/mine/4zsd) | Human Cyclophilin D Complexed with an Inhibitor at room temperature | Descriptor: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F. | Deposit date: | 2015-05-13 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4ZSC
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![BU of 4zsc by Molmil](/molmil-images/mine/4zsc) | Human Cyclophilin D Complexed with an Inhibitor at room temperature | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | Authors: | Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F. | Deposit date: | 2015-05-13 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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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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6RBW
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![BU of 6rbw by Molmil](/molmil-images/mine/6rbw) | |
6RC6
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![BU of 6rc6 by Molmil](/molmil-images/mine/6rc6) | |
6RBS
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![BU of 6rbs by Molmil](/molmil-images/mine/6rbs) | |
6RBZ
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![BU of 6rbz by Molmil](/molmil-images/mine/6rbz) | |
6RBP
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![BU of 6rbp by Molmil](/molmil-images/mine/6rbp) | |
6RBY
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![BU of 6rby by Molmil](/molmil-images/mine/6rby) | |
6RBO
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![BU of 6rbo by Molmil](/molmil-images/mine/6rbo) | |
6RBV
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![BU of 6rbv by Molmil](/molmil-images/mine/6rbv) | |
6RC5
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![BU of 6rc5 by Molmil](/molmil-images/mine/6rc5) | |
6RBR
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![BU of 6rbr by Molmil](/molmil-images/mine/6rbr) | |
6RC2
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![BU of 6rc2 by Molmil](/molmil-images/mine/6rc2) | |
6RBX
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![BU of 6rbx by Molmil](/molmil-images/mine/6rbx) | |
6RBT
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![BU of 6rbt by Molmil](/molmil-images/mine/6rbt) | |
6RC0
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![BU of 6rc0 by Molmil](/molmil-images/mine/6rc0) | |
6RR2
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![BU of 6rr2 by Molmil](/molmil-images/mine/6rr2) | |
6RGD
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![BU of 6rgd by Molmil](/molmil-images/mine/6rgd) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1 | Authors: | Gelin, M, Labesse, G. | Deposit date: | 2019-04-16 | Release date: | 2020-02-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus. Acs Infect Dis., 6, 2020
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6Z61
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![BU of 6z61 by Molmil](/molmil-images/mine/6z61) | 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
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6Z65
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![BU of 6z65 by Molmil](/molmil-images/mine/6z65) | 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
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6Z64
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![BU of 6z64 by Molmil](/molmil-images/mine/6z64) | 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
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