3I05
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4WEY
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![BU of 4wey by Molmil](/molmil-images/mine/4wey) | Crystal structure of E.Coli DsbA in complex with compound 17 | 分子名称: | 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine, Thiol:disulfide interchange protein | 著者 | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | 登録日 | 2014-09-11 | 公開日 | 2015-01-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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6ZOE
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![BU of 6zoe by Molmil](/molmil-images/mine/6zoe) | AcrB-F563A symmetric T protomer | 分子名称: | 1,2-ETHANEDIOL, DARPIN, DECANE, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2020-07-07 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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1BB7
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4WF4
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![BU of 4wf4 by Molmil](/molmil-images/mine/4wf4) | Crystal structure of E.Coli DsbA co-crystallised in complex with compound 4 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, Thiol:disulfide interchange protein | 著者 | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | 登録日 | 2014-09-12 | 公開日 | 2015-01-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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5L6V
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![BU of 5l6v by Molmil](/molmil-images/mine/5l6v) | Crystal structure of E. coli ADP-glucose pyrophosphorylase (AGPase) in complex with a negative allosteric regulator adenosine monophosphate (AMP) - AGPase*AMP | 分子名称: | ADENOSINE MONOPHOSPHATE, Glucose-1-phosphate adenylyltransferase, PHOSPHATE ION, ... | 著者 | Cifuente, J.O, Albesa-Jove, D, Comino, N, Madariaga-Marcos, J, Agirre, J, Lopez-Fernandez, S, Garcia-Alija, M, Guerin, M.E. | 登録日 | 2016-05-31 | 公開日 | 2016-09-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.667 Å) | 主引用文献 | Structural Basis of Glycogen Biosynthesis Regulation in Bacteria. Structure, 24, 2016
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8C25
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![BU of 8c25 by Molmil](/molmil-images/mine/8c25) | purine nucleoside phosphorylase in complex with JS-375 | 分子名称: | CHLORIDE ION, GLYCEROL, Purine nucleoside phosphorylase, ... | 著者 | Djukic, S, Pachl, P, Rezacova, P. | 登録日 | 2022-12-21 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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3HYF
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![BU of 3hyf by Molmil](/molmil-images/mine/3hyf) | Crystal structure of HIV-1 RNase H p15 with engineered E. coli loop and active site inhibitor | 分子名称: | 2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid, ACETATE ION, GLYCEROL, ... | 著者 | Lansdon, E.B, Kirschberg, T.A. | 登録日 | 2009-06-22 | 公開日 | 2009-10-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information. J.Med.Chem., 52, 2009
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4WUD
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![BU of 4wud by Molmil](/molmil-images/mine/4wud) | N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from no salt condition | 分子名称: | CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ... | 著者 | Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M. | 登録日 | 2014-10-31 | 公開日 | 2015-04-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The role of monovalent cations in the ATPase reaction of DNA gyrase Acta Crystallogr.,Sect.D, 71, 2015
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7AQ8
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![BU of 7aq8 by Molmil](/molmil-images/mine/7aq8) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583Y/D576A | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.791 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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7AQ5
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![BU of 7aq5 by Molmil](/molmil-images/mine/7aq5) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583N | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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7AQ6
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![BU of 7aq6 by Molmil](/molmil-images/mine/7aq6) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583F | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.514 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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7AQ7
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![BU of 7aq7 by Molmil](/molmil-images/mine/7aq7) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583Y | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.608 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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5LO9
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![BU of 5lo9 by Molmil](/molmil-images/mine/5lo9) | Thiosulfate dehydrogenase (TsdBA) from Marichromatium purpuratum - "as isolated" form | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome C, ... | 著者 | Brito, J.A, Kurth, J.M, Reuter, J, Flegler, A, Koch, T, Franke, T, Klein, E, Rowe, S, Butt, J.N, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | 登録日 | 2016-08-08 | 公開日 | 2016-10-12 | 最終更新日 | 2017-09-06 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Electron Accepting Units of the Diheme Cytochrome c TsdA, a Bifunctional Thiosulfate Dehydrogenase/Tetrathionate Reductase. J.Biol.Chem., 291, 2016
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7AQ3
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![BU of 7aq3 by Molmil](/molmil-images/mine/7aq3) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583D | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.639 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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7AQ4
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![BU of 7aq4 by Molmil](/molmil-images/mine/7aq4) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583E | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.708 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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6S5W
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![BU of 6s5w by Molmil](/molmil-images/mine/6s5w) | Structure of Rib domain 'Rib Long' from Lactobacillus acidophilus | 分子名称: | SODIUM ION, SULFATE ION, Surface protein | 著者 | Griffiths, S.C, Cooper, R.E.M, Whelan, F, Whittingham, J.L, Bateman, A, Potts, J.R. | 登録日 | 2019-07-02 | 公開日 | 2019-12-11 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection. Proc.Natl.Acad.Sci.USA, 116, 2019
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7APY
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![BU of 7apy by Molmil](/molmil-images/mine/7apy) | Pseudomonas stutzeri nitrous oxide reductase mutant, D576A | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.778 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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7AQ0
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![BU of 7aq0 by Molmil](/molmil-images/mine/7aq0) | Pseudomonas stutzeri nitrous oxide reductase mutant, D576A/S550A | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.584 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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1K82
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![BU of 1k82 by Molmil](/molmil-images/mine/1k82) | Crystal structure of E.coli formamidopyrimidine-DNA glycosylase (Fpg) covalently trapped with DNA | 分子名称: | 5'-D(*CP*CP*AP*GP*GP*AP*(PED)P*GP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*CP*CP*TP*CP*CP*TP*GP*G)-3', ZINC ION, ... | 著者 | Gilboa, R, Zharkov, D.O, Golan, G, Fernandes, A.S, Gerchman, S.E, Matz, E, Kycia, J.H, Grollman, A.P, Shoham, G. | 登録日 | 2001-10-22 | 公開日 | 2002-06-14 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of formamidopyrimidine-DNA glycosylase covalently complexed to DNA. J.Biol.Chem., 277, 2002
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7AQ2
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![BU of 7aq2 by Molmil](/molmil-images/mine/7aq2) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583A | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.683 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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7AQ9
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![BU of 7aq9 by Molmil](/molmil-images/mine/7aq9) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583W | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.585 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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4XBO
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![BU of 4xbo by Molmil](/molmil-images/mine/4xbo) | Crystal structure of full length E.coli TrmJ in complex with SAH | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ | 著者 | Liu, R.J, Long, T, Zhou, M, Wang, E.D. | 登録日 | 2014-12-17 | 公開日 | 2015-12-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | tRNA recognition by a bacterial tRNA Xm32 modification enzyme from the SPOUT methyltransferase superfamily Nucleic Acids Res., 43, 2015
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8BZD
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![BU of 8bzd by Molmil](/molmil-images/mine/8bzd) | deAc-FC stabilizer of 14-3-3 and ERalpha | 分子名称: | 14-3-3 protein sigma, De-acetylated Fusicoccin, ERalpha peptide, ... | 著者 | Visser, E.J, Ottmann, C. | 登録日 | 2022-12-14 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
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6EUT
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![BU of 6eut by Molmil](/molmil-images/mine/6eut) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK67) | 分子名称: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ... | 著者 | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-10-31 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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