6Z61
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative | 分子名称: | (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 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2020-05-27 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | New Chemical Probe Targeting Bacterial NAD Kinase. Molecules, 25, 2020
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6Z65
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative | 分子名称: | 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 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2020-05-27 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | New Chemical Probe Targeting Bacterial NAD Kinase. Molecules, 25, 2020
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6Z64
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative | 分子名称: | (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 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2020-05-27 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | New Chemical Probe Targeting Bacterial NAD Kinase. Molecules, 25, 2020
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6SYQ
| ASR Alternansucrase in complex with isomaltotriose | 分子名称: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose, ... | 著者 | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | 登録日 | 2019-09-30 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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6T18
| ASR Alternansucrase in complex with oligoalternan | 分子名称: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... | 著者 | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | 登録日 | 2019-10-03 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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6T1P
| ASR Alternansucrase in complex with isomaltononaose | 分子名称: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... | 著者 | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | 登録日 | 2019-10-04 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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6TCK
| Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2 | 分子名称: | (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, ... | 著者 | Welin, M, Kimbung, R, Focht, D. | 登録日 | 2019-11-06 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Rational design of balanced dual-targeting antibiotics with limited resistance. Plos Biol., 18, 2020
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6TTG
| Crystal structure of the ATP binding domain of S. aureus GyrB complexed with LMD62 | 分子名称: | (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, ... | 著者 | Welin, M, Kimbung, R, Focht, D. | 登録日 | 2019-12-27 | 公開日 | 2020-12-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 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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6T16
| ASR Alternansucrase in complex with panose | 分子名称: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose, ... | 著者 | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | 登録日 | 2019-10-03 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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6SZI
| ASR Alternansucrase in complex with isomaltose | 分子名称: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | 著者 | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | 登録日 | 2019-10-02 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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4ZDK
| Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with UTP, AMP-PCP and oxonorleucine | 分子名称: | 5-OXO-L-NORLEUCINE, CTP synthase, MAGNESIUM ION, ... | 著者 | Bellinzoni, M, Barilone, N, Alzari, P.M. | 登録日 | 2015-04-17 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | 主引用文献 | Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG. Chem.Biol., 22, 2015
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4ZDJ
| Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with two UTP molecules | 分子名称: | CTP synthase, GLYCEROL, MAGNESIUM ION, ... | 著者 | Bellinzoni, M, Barilone, N, Alzari, P.M. | 登録日 | 2015-04-17 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | 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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6EFK
| Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated HSP70 peptide | 分子名称: | ACE-ILE-GLU-GLU-VAL-ASP, E3 ubiquitin-protein ligase CHIP, SODIUM ION | 著者 | Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E. | 登録日 | 2018-08-16 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases. Nat.Chem.Biol., 15, 2019
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7R0T
| Crystal structure of exonuclease ExnV1 | 分子名称: | CHLORIDE ION, Exonuclease ExnV1, MAGNESIUM ION, ... | 著者 | Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Linares-Pasten, J.A, Wang, L, Nordberg Karlsson, E, Ahlqvist, J. | 登録日 | 2022-02-02 | 公開日 | 2022-11-02 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.194 Å) | 主引用文献 | Crystal structure of DNA polymerase I from Thermus phage G20c. Acta Crystallogr D Struct Biol, 78, 2022
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7R0K
| Crystal structure of Polymerase I from phage G20c | 分子名称: | DNA polymerase I | 著者 | Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Linares-Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Ahlqvist, J. | 登録日 | 2022-02-02 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.972 Å) | 主引用文献 | Crystal structure of DNA polymerase I from Thermus phage G20c. Acta Crystallogr D Struct Biol, 78, 2022
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6EWX
| Structure of Pragmin pseudo-kinase reveals a dimerization mechanism to regulate protein tyrosine phosphorylation and nuclear transcription | 分子名称: | PEAK1-related kinase-activating pseudokinase 1, SULFATE ION | 著者 | Gelin, M, Allemand, F, Fournet, A, Labesse, G. | 登録日 | 2017-11-06 | 公開日 | 2018-01-31 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.771 Å) | 主引用文献 | Dimerization of the Pragmin Pseudo-Kinase Regulates Protein Tyrosine Phosphorylation. Structure, 26, 2018
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1UNE
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8BSE
| CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab | 分子名称: | 1D1 FAB HEAVY CHAIN, 1D1 FAB LIGHT CHAIN, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. | 登録日 | 2022-11-25 | 公開日 | 2023-05-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants. Plos One, 18, 2023
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8BSF
| CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3D2 FAB HEAVY CHAIN, 3D2 FAB LIGHT CHAIN, ... | 著者 | Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. | 登録日 | 2022-11-25 | 公開日 | 2023-05-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants. Plos One, 18, 2023
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1TOP
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5A7C
| Crystal structure of the second bromodomain of human BRD3 in complex with compound | 分子名称: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE | 著者 | Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B. | 登録日 | 2015-07-03 | 公開日 | 2016-03-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins. Cancer Res., 76, 2016
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7ZZ9
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative | 分子名称: | 3-[[(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]methyl-(2-azanylethyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3-oxidanylidene-propanoic acid, CITRIC ACID, NAD kinase 1 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-05-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | 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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7ZZA
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative | 分子名称: | 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-[(3-azanylpropylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid, CITRIC ACID, NAD kinase 1 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-05-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 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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7ZZG
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative | 分子名称: | (1~{R},24~{R},25~{S},26~{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-25,26-bis(oxidanyl)-27-oxa-2,4,6,9,14,17,20,22-octazatetracyclo[22.2.1.0^{2,10}.0^{3,8}]heptacosa-3(8),4,6,9-tetraen-11-yne-16,21-dione, CITRIC ACID, NAD kinase 1 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-05-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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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