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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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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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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7M05
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![BU of 7m05 by Molmil](/molmil-images/mine/7m05) | |
6V0P
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![BU of 6v0p by Molmil](/molmil-images/mine/6v0p) | |
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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4YFN
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![BU of 4yfn by Molmil](/molmil-images/mine/4yfn) | Escherichia coli RNA polymerase in complex with squaramide compound 14 (N-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide) | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | 登録日 | 2015-02-25 | 公開日 | 2015-03-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.817 Å) | 主引用文献 | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein. J.Med.Chem., 58, 2015
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4YFK
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![BU of 4yfk by Molmil](/molmil-images/mine/4yfk) | Escherichia coli RNA polymerase in complex with squaramide compound 8. | 分子名称: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | 著者 | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | 登録日 | 2015-02-25 | 公開日 | 2015-03-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.571 Å) | 主引用文献 | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein. J.Med.Chem., 58, 2015
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4YFX
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![BU of 4yfx by Molmil](/molmil-images/mine/4yfx) | Escherichia coli RNA polymerase in complex with Myxopyronin B | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | 登録日 | 2015-02-25 | 公開日 | 2015-03-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.844 Å) | 主引用文献 | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein. J.Med.Chem., 58, 2015
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4Z8D
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4WZ5
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![BU of 4wz5 by Molmil](/molmil-images/mine/4wz5) | Crystal structure of P. aeruginosa OXA10 | 分子名称: | Beta-lactamase OXA-10, CARBON DIOXIDE, SULFATE ION, ... | 著者 | Ferguson, A.D. | 登録日 | 2014-11-18 | 公開日 | 2015-08-05 | 最終更新日 | 2016-09-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors. Acs Infect Dis., 1, 2015
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4WZ4
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![BU of 4wz4 by Molmil](/molmil-images/mine/4wz4) | Crystal structure of P. aeruginosa AmpC | 分子名称: | Beta-lactamase, GLYCEROL, {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid | 著者 | Ferguson, A.D. | 登録日 | 2014-11-18 | 公開日 | 2015-08-05 | 最終更新日 | 2018-04-25 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors. ACS Infect Dis, 1, 2015
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4WYY
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![BU of 4wyy by Molmil](/molmil-images/mine/4wyy) | Crystal Structure of P. aeruginosa AmpC | 分子名称: | Beta-lactamase, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Ferguson, A.D. | 登録日 | 2014-11-18 | 公開日 | 2015-08-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors. ACS Infect Dis, 1, 2015
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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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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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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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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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4YG2
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![BU of 4yg2 by Molmil](/molmil-images/mine/4yg2) | |
6V0N
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![BU of 6v0n by Molmil](/molmil-images/mine/6v0n) | PRMT5 bound to PBM peptide from Riok1 | 分子名称: | Methylosome protein 50, Protein arginine N-methyltransferase 5, Riok1 PBM peptide, ... | 著者 | McMIllan, B.J, Raymond, D.D. | 登録日 | 2019-11-19 | 公開日 | 2020-08-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Molecular basis for substrate recruitment to the PRMT5 methylosome. Mol.Cell, 81, 2021
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6V0O
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4MCC
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![BU of 4mcc by Molmil](/molmil-images/mine/4mcc) | HinTrmD in complex with N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE | 分子名称: | N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Olivier, N.B, Hill, P. | 登録日 | 2013-08-21 | 公開日 | 2013-09-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain. J.Med.Chem., 56, 2013
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4MCD
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![BU of 4mcd by Molmil](/molmil-images/mine/4mcd) | hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE | 分子名称: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Lahiri, S. | 登録日 | 2013-08-21 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain. J.Med.Chem., 56, 2013
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4MCB
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![BU of 4mcb by Molmil](/molmil-images/mine/4mcb) | H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE | 分子名称: | ACETATE ION, GLYCEROL, N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, ... | 著者 | Olivier, N.B, Hill, P. | 登録日 | 2013-08-21 | 公開日 | 2013-09-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain. J.Med.Chem., 56, 2013
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