4UCU
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![BU of 4ucu by Molmil](/molmil-images/mine/4ucu) | Fragment bound to H.influenza NAD dependent DNA ligase | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | 登録日 | 2014-12-04 | 公開日 | 2015-10-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCT
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![BU of 4uct by Molmil](/molmil-images/mine/4uct) | Fragment bound to H.influenza NAD dependent DNA ligase | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | 登録日 | 2014-12-04 | 公開日 | 2015-10-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCV
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![BU of 4ucv by Molmil](/molmil-images/mine/4ucv) | Fragment bound to H.influenza NAD dependent DNA ligase | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | 登録日 | 2014-12-04 | 公開日 | 2015-10-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCO
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![BU of 4uco by Molmil](/molmil-images/mine/4uco) | Fragment bound to H.influenza NAD dependent DNA ligase | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | 登録日 | 2014-12-04 | 公開日 | 2015-10-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCR
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![BU of 4ucr by Molmil](/molmil-images/mine/4ucr) | Fragment bound to H.influenza NAD dependent DNA ligase | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | 登録日 | 2014-12-04 | 公開日 | 2015-10-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCS
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![BU of 4ucs by Molmil](/molmil-images/mine/4ucs) | Fragment bound to H.influenza NAD dependent DNA ligase | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | 登録日 | 2014-12-04 | 公開日 | 2015-10-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4Z7M
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![BU of 4z7m by Molmil](/molmil-images/mine/4z7m) | Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity | 分子名称: | MANGANESE (II) ION, Methionine aminopeptidase, N~2~-[(3,5-difluorophenyl)acetyl]-N-[(3S,7R)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-L-alaninamide | 著者 | Rose, J.A, Lahiri, S.D, McKinney, D.C, Albert, R, Morningstar, M, Shapiro, A.B, Fisher, S.F, Fleming, P.R. | 登録日 | 2015-04-07 | 公開日 | 2016-04-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity To be Published
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3PN1
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![BU of 3pn1 by Molmil](/molmil-images/mine/3pn1) | Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase | 著者 | Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S. | 登録日 | 2010-11-18 | 公開日 | 2011-01-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo. Antimicrob.Agents Chemother., 55, 2011
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5VFD
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![BU of 5vfd by Molmil](/molmil-images/mine/5vfd) | Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii | 分子名称: | (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ... | 著者 | Olivier, N.B, Lahiri, S. | 登録日 | 2017-04-07 | 公開日 | 2017-06-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii. Nat Microbiol, 2, 2017
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3TWD
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![BU of 3twd by Molmil](/molmil-images/mine/3twd) | glmuC1 in complex with an antibacterial inhibitor | 分子名称: | 4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid, Bifunctional protein glmU, SULFATE ION | 著者 | Lahiri, S, Otterbein, L. | 登録日 | 2011-09-21 | 公開日 | 2011-10-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | In Vitro Validation of Acetyltransferase Activity of GlmU as an Antibacterial Target in Haemophilus influenzae. J.Biol.Chem., 286, 2011
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4Z8D
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![BU of 4z8d by Molmil](/molmil-images/mine/4z8d) | |
5BNM
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![BU of 5bnm by Molmil](/molmil-images/mine/5bnm) | E. coli FabH with Small Molecule Inhibitor 1 | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, N-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide, SULFATE ION, ... | 著者 | Kazmirski, S.L, McKinney, D.C. | 登録日 | 2015-05-26 | 公開日 | 2016-05-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping. Acs Infect Dis., 2, 2016
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4E1K
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![BU of 4e1k by Molmil](/molmil-images/mine/4e1k) | GlmU in complex with a Quinazoline Compound | 分子名称: | Bifunctional protein GlmU, N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, SULFATE ION, ... | 著者 | Larsen, N.A, Doig, P. | 登録日 | 2012-03-06 | 公開日 | 2013-05-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | An aminoquinazoline inhibitor of the essential bacterial cell wall synthetic enzyme GlmU has a unique non-protein-kinase-like binding mode. Biochem.J., 446, 2012
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4P71
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![BU of 4p71 by Molmil](/molmil-images/mine/4p71) | Apo PheRS from P. aeuriginosa | 分子名称: | Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | 著者 | Ferguson, A.D. | 登録日 | 2014-03-25 | 公開日 | 2014-06-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
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4P74
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![BU of 4p74 by Molmil](/molmil-images/mine/4p74) | PheRS in complex with compound 3a | 分子名称: | N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | 著者 | Ferguson, A.D. | 登録日 | 2014-03-25 | 公開日 | 2014-06-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
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4P75
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![BU of 4p75 by Molmil](/molmil-images/mine/4p75) | PheRS in complex with compound 4a | 分子名称: | 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | 著者 | Ferguson, A.D. | 登録日 | 2014-03-25 | 公開日 | 2014-06-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | 主引用文献 | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
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4P72
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![BU of 4p72 by Molmil](/molmil-images/mine/4p72) | PheRS in complex with compound 2a | 分子名称: | 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | 著者 | Ferguson, A.D. | 登録日 | 2014-03-25 | 公開日 | 2014-06-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
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4P73
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![BU of 4p73 by Molmil](/molmil-images/mine/4p73) | PheRS in complex with compound 1a | 分子名称: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | 著者 | Ferguson, A.D. | 登録日 | 2014-03-25 | 公開日 | 2014-06-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | 主引用文献 | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
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5BNS
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![BU of 5bns by Molmil](/molmil-images/mine/5bns) | E. coli Fabh with small molecule inhibitor 2 | 分子名称: | 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 3 | 著者 | Kazmirski, S.L, McKinney, D.C. | 登録日 | 2015-05-26 | 公開日 | 2016-05-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping. Acs Infect Dis., 2, 2016
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5BNR
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![BU of 5bnr by Molmil](/molmil-images/mine/5bnr) | E. coli Fabh with small molecule inhibitor 2 | 分子名称: | 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3 | 著者 | Kazmirski, S.L, McKinney, D.C. | 登録日 | 2015-05-26 | 公開日 | 2016-05-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping. Acs Infect Dis., 2, 2016
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5BQS
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![BU of 5bqs by Molmil](/molmil-images/mine/5bqs) | S. Pneumoniae Fabh with small molecule inhibitor 4 | 分子名称: | 1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3, SODIUM ION | 著者 | Kazmirski, S.L, McKinney, D.C. | 登録日 | 2015-05-29 | 公開日 | 2016-05-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping. Acs Infect Dis., 2, 2016
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4AC3
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![BU of 4ac3 by Molmil](/molmil-images/mine/4ac3) | S.pneumoniae GlmU in complex with an antibacterial inhibitor | 分子名称: | BIFUNCTIONAL PROTEIN GLMU, N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)sulfamoyl]phenyl}acetamide, SULFATE ION | 著者 | Otterbein, L, Breed, J, Ogg, D.J. | 登録日 | 2011-12-12 | 公開日 | 2012-02-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
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4AA7
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![BU of 4aa7 by Molmil](/molmil-images/mine/4aa7) | E.coli GlmU in complex with an antibacterial inhibitor | 分子名称: | BIFUNCTIONAL PROTEIN GLMU, N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide, SULFATE ION | 著者 | Otterbein, L, Breed, J, Ogg, D.J. | 登録日 | 2011-11-30 | 公開日 | 2012-08-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
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4AAW
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![BU of 4aaw by Molmil](/molmil-images/mine/4aaw) | S.pneumoniae GlmU in complex with an antibacterial inhibitor | 分子名称: | 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid, BIFUNCTIONAL PROTEIN GLMU, SULFATE ION | 著者 | Otterbein, L, Breed, J, Ogg, D.J. | 登録日 | 2011-12-05 | 公開日 | 2012-02-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
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6VHS
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![BU of 6vhs by Molmil](/molmil-images/mine/6vhs) | Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317 | 分子名称: | (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Sacco, M.D, Chen, Y. | 登録日 | 2020-01-10 | 公開日 | 2020-08-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases. J.Med.Chem., 63, 2020
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