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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4ZDK
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![BU of 4zdk by Molmil](/molmil-images/mine/4zdk) | Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with UTP, AMP-PCP and oxonorleucine | Descriptor: | 5-OXO-L-NORLEUCINE, CTP synthase, MAGNESIUM ION, ... | Authors: | Bellinzoni, M, Barilone, N, Alzari, P.M. | Deposit date: | 2015-04-17 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG. Chem.Biol., 22, 2015
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4ZDJ
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![BU of 4zdj by Molmil](/molmil-images/mine/4zdj) | Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with two UTP molecules | Descriptor: | CTP synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Bellinzoni, M, Barilone, N, Alzari, P.M. | Deposit date: | 2015-04-17 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG. Chem.Biol., 22, 2015
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4ZDI
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![BU of 4zdi by Molmil](/molmil-images/mine/4zdi) | |
7R0T
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![BU of 7r0t by Molmil](/molmil-images/mine/7r0t) | Crystal structure of exonuclease ExnV1 | Descriptor: | CHLORIDE ION, Exonuclease ExnV1, MAGNESIUM ION, ... | Authors: | Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Linares-Pasten, J.A, Wang, L, Nordberg Karlsson, E, Ahlqvist, J. | Deposit date: | 2022-02-02 | Release date: | 2022-11-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Crystal structure of DNA polymerase I from Thermus phage G20c. Acta Crystallogr D Struct Biol, 78, 2022
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7R0K
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![BU of 7r0k by Molmil](/molmil-images/mine/7r0k) | Crystal structure of Polymerase I from phage G20c | Descriptor: | DNA polymerase I | Authors: | Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Linares-Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Ahlqvist, J. | Deposit date: | 2022-02-02 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.972 Å) | Cite: | Crystal structure of DNA polymerase I from Thermus phage G20c. Acta Crystallogr D Struct Biol, 78, 2022
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5NDY
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![BU of 5ndy by Molmil](/molmil-images/mine/5ndy) | |
5NEZ
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![BU of 5nez by Molmil](/molmil-images/mine/5nez) | |
6SYQ
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![BU of 6syq by Molmil](/molmil-images/mine/6syq) | ASR Alternansucrase in complex with isomaltotriose | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose, ... | Authors: | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | Deposit date: | 2019-09-30 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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1TOP
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![BU of 1top by Molmil](/molmil-images/mine/1top) | |
6T18
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![BU of 6t18 by Molmil](/molmil-images/mine/6t18) | ASR Alternansucrase in complex with oligoalternan | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... | Authors: | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | Deposit date: | 2019-10-03 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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6T16
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![BU of 6t16 by Molmil](/molmil-images/mine/6t16) | ASR Alternansucrase in complex with panose | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose, ... | Authors: | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | Deposit date: | 2019-10-03 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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1UNE
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6SZI
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![BU of 6szi by Molmil](/molmil-images/mine/6szi) | ASR Alternansucrase in complex with isomaltose | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | Authors: | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | Deposit date: | 2019-10-02 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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6T1P
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![BU of 6t1p by Molmil](/molmil-images/mine/6t1p) | ASR Alternansucrase in complex with isomaltononaose | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... | Authors: | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | Deposit date: | 2019-10-04 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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6NSV
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![BU of 6nsv by Molmil](/molmil-images/mine/6nsv) | Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated optimized peptide | Descriptor: | ACE-LEU-TRP-TRP-PRO-ASP, CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, ... | Authors: | Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E. | Deposit date: | 2019-01-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.305 Å) | Cite: | Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases. Nat.Chem.Biol., 15, 2019
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6TCK
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![BU of 6tck by Molmil](/molmil-images/mine/6tck) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ... | Authors: | Welin, M, Kimbung, R, Focht, D. | Deposit date: | 2019-11-06 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Rational design of balanced dual-targeting antibiotics with limited resistance. Plos Biol., 18, 2020
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6TTG
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![BU of 6ttg by Molmil](/molmil-images/mine/6ttg) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with LMD62 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ... | Authors: | Welin, M, Kimbung, R, Focht, D. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | New dual ATP-competitive inhibitors of bacterial DNA gyrase and topoisomerase IV active against ESKAPE pathogens. Eur.J.Med.Chem., 213, 2021
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6EFK
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![BU of 6efk by Molmil](/molmil-images/mine/6efk) | Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated HSP70 peptide | Descriptor: | ACE-ILE-GLU-GLU-VAL-ASP, E3 ubiquitin-protein ligase CHIP, SODIUM ION | Authors: | Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E. | Deposit date: | 2018-08-16 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases. Nat.Chem.Biol., 15, 2019
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5DPN
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![BU of 5dpn by Molmil](/molmil-images/mine/5dpn) | Engineered CBM X-2 L110F in complex with branched carbohydrate XXXG. | Descriptor: | CALCIUM ION, Xylanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Ohlin, M. | Deposit date: | 2015-09-13 | Release date: | 2015-10-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | Cite: | Neutron Crystallographic Studies Reveal Hydrogen Bond and Water-Mediated Interactions between a Carbohydrate-Binding Module and Its Bound Carbohydrate Ligand. Biochemistry, 54, 2015
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6EWX
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![BU of 6ewx by Molmil](/molmil-images/mine/6ewx) | Structure of Pragmin pseudo-kinase reveals a dimerization mechanism to regulate protein tyrosine phosphorylation and nuclear transcription | Descriptor: | PEAK1-related kinase-activating pseudokinase 1, SULFATE ION | Authors: | Gelin, M, Allemand, F, Fournet, A, Labesse, G. | Deposit date: | 2017-11-06 | Release date: | 2018-01-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.771 Å) | Cite: | Dimerization of the Pragmin Pseudo-Kinase Regulates Protein Tyrosine Phosphorylation. Structure, 26, 2018
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5A7C
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![BU of 5a7c by Molmil](/molmil-images/mine/5a7c) | Crystal structure of the second bromodomain of human BRD3 in complex with compound | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE | Authors: | Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B. | Deposit date: | 2015-07-03 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins. Cancer Res., 76, 2016
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1FDK
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![BU of 1fdk by Molmil](/molmil-images/mine/1fdk) | CARBOXYLIC ESTER HYDROLASE (PLA2-MJ33 INHIBITOR COMPLEX) | Descriptor: | 1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL, CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Sundaralingam, M. | Deposit date: | 1997-09-04 | Release date: | 1998-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of the complex of bovine pancreatic phospholipase A2 with the inhibitor 1-hexadecyl-3-(trifluoroethyl)-sn-glycero-2-phosphomethanol,. Biochemistry, 36, 1997
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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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