8EF8
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![BU of 8ef8 by Molmil](/molmil-images/mine/8ef8) | Staphylococcus aureus ClpP Y63W in complex with compound 3471 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit | 著者 | Lee, R.E, Griffith, E.C. | 登録日 | 2022-09-08 | 公開日 | 2023-07-19 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class To Be Published
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6PMD
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6RJ0
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6HGY
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![BU of 6hgy by Molmil](/molmil-images/mine/6hgy) | CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C | 分子名称: | Cathepsin K, THALASSOSPIRAMIDE C | 著者 | Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M. | 登録日 | 2018-08-23 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action. Org.Lett., 21, 2019
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6I9R
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![BU of 6i9r by Molmil](/molmil-images/mine/6i9r) | Large subunit of the human mitochondrial ribosome in complex with Virginiamycin M and Quinupristin | 分子名称: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | 著者 | Modelska, A, Aibara, S, Amunts, A. | 登録日 | 2018-11-25 | 公開日 | 2020-07-08 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Inhibition of mitochondrial translation suppresses glioblastoma stem cell growth. Cell Rep, 35, 2021
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4MQY
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![BU of 4mqy by Molmil](/molmil-images/mine/4mqy) | Crystal Structure of the Escherichia coli LpxC/LPC-138 complex | 分子名称: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ... | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | 登録日 | 2013-09-17 | 公開日 | 2013-10-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.005 Å) | 主引用文献 | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC. Acs Chem.Biol., 9, 2014
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7JLS
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![BU of 7jls by Molmil](/molmil-images/mine/7jls) | RV3666c bound to tripeptide | 分子名称: | Peptide SER-VAL-ALA, Probable periplasmic dipeptide-binding lipoprotein DppA | 著者 | Lee, R.E, Griffith, E.C, Miller, D.J. | 登録日 | 2020-07-30 | 公開日 | 2021-06-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Biophysical analysis of the Mycobacteria tuberculosis peptide binding protein DppA reveals a stringent peptide binding pocket. Tuberculosis (Edinb), 132, 2021
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7L5E
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1RGA
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4ISA
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![BU of 4isa by Molmil](/molmil-images/mine/4isa) | Crystal Structure of the Escherichia coli LpxC/BB-78485 complex | 分子名称: | (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, (4S,5S)-1,2-DITHIANE-4,5-DIOL, FORMIC ACID, ... | 著者 | Lee, C.-J, Zhou, P. | 登録日 | 2013-01-16 | 公開日 | 2013-10-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC. Acs Chem.Biol., 9, 2014
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4IS9
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![BU of 4is9 by Molmil](/molmil-images/mine/4is9) | Crystal Structure of the Escherichia coli LpxC/L-161,240 complex | 分子名称: | (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ... | 著者 | Lee, C.-J, Zhou, P. | 登録日 | 2013-01-16 | 公開日 | 2013-10-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC. Acs Chem.Biol., 9, 2014
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2MW7
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4LVQ
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5DAZ
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5DRP
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![BU of 5drp by Molmil](/molmil-images/mine/5drp) | Structure of the AaLpxC/LPC-023 Complex | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ... | 著者 | Najeeb, J, Lee, C.-J, Zhou, P. | 登録日 | 2015-09-16 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.889 Å) | 主引用文献 | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
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5DRR
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![BU of 5drr by Molmil](/molmil-images/mine/5drr) | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex | 分子名称: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | 登録日 | 2015-09-16 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
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5DRO
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![BU of 5dro by Molmil](/molmil-images/mine/5dro) | Structure of the Aquifex aeolicus LpxC/LPC-011 Complex | 分子名称: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | 登録日 | 2015-09-16 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
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5DRQ
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![BU of 5drq by Molmil](/molmil-images/mine/5drq) | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex | 分子名称: | N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | 登録日 | 2015-09-16 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
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7UE8
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![BU of 7ue8 by Molmil](/molmil-images/mine/7ue8) | PANK3 complex structure with compound PZ-3890 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one, ACETATE ION, ... | 著者 | White, S.W, Yun, M, Lee, R.E. | 登録日 | 2022-03-21 | 公開日 | 2023-03-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia. J Inherit Metab Dis, 46, 2023
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5TLB
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![BU of 5tlb by Molmil](/molmil-images/mine/5tlb) | Scabin toxin from Streptomyces scabies in complex with NADH | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Scabin | 著者 | Lyons, B, Dutta, D, Ravulapalli, R, Merrill, A.R. | 登録日 | 2016-10-10 | 公開日 | 2017-10-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Characterization of the catalytic signature of Scabin toxin, a DNA-targeting ADP-ribosyltransferase. Biochem. J., 475, 2018
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8GCC
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![BU of 8gcc by Molmil](/molmil-images/mine/8gcc) | T. cruzi topoisomerase II alpha bound to dsDNA and the covalent inhibitor CT1 | 分子名称: | 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one, DNA (28-MER), DNA topoisomerase 2 | 著者 | Schenk, A, Deniston, C, Noeske, J. | 登録日 | 2023-03-01 | 公開日 | 2023-07-12 | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | 主引用文献 | Cyanotriazoles are selective topoisomerase II poisons that rapidly cure trypanosome infections. Science, 380, 2023
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