6NZU
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![BU of 6nzu by Molmil](/molmil-images/mine/6nzu) | Structure of the human frataxin-bound iron-sulfur cluster assembly complex | 分子名称: | Acyl carrier protein, Cysteine desulfurase, mitochondrial, ... | 著者 | Fox, N.G, Yu, X, Xidong, F, Alain, M, Joseph, N, Claire, S.D, Christine, B, Han, S, Yue, W.W. | 登録日 | 2019-02-14 | 公開日 | 2019-05-22 | 最終更新日 | 2019-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structure of the human frataxin-bound iron-sulfur cluster assembly complex provides insight into its activation mechanism. Nat Commun, 10, 2019
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4J5N
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![BU of 4j5n by Molmil](/molmil-images/mine/4j5n) | Crystal Structure of a Deinococcus radiodurans PTE-like lactonase (drPLL) mutant Y28L/D71N/E101G/E179D/V235L/L270M | 分子名称: | COBALT (II) ION, Phosphotriesterase, putative | 著者 | Meier, M.M, Rajendran, C, Malisi, C, Fox, N.G, Xu, C, Schlee, S, Barondeau, D.P, Hocker, B, Sterner, R, Raushel, F.M. | 登録日 | 2013-02-08 | 公開日 | 2013-07-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template. J.Am.Chem.Soc., 135, 2013
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8UTE
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![BU of 8ute by Molmil](/molmil-images/mine/8ute) | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | 登録日 | 2023-10-31 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPV
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![BU of 8upv by Molmil](/molmil-images/mine/8upv) | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | 分子名称: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | 登録日 | 2023-10-23 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPS
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![BU of 8ups by Molmil](/molmil-images/mine/8ups) | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | 著者 | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | 登録日 | 2023-10-23 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPW
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![BU of 8upw by Molmil](/molmil-images/mine/8upw) | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | 分子名称: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | 登録日 | 2023-10-23 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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4J35
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![BU of 4j35 by Molmil](/molmil-images/mine/4j35) | Molecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous Lactonase Template | 分子名称: | COBALT (II) ION, Phosphotriesterase, putative | 著者 | Sterner, R, Raushel, F, Meier, M, Rajendran, C, Malisi, C, Fox, N, Schlee, S, Barondeau, D, Cker, B.H. | 登録日 | 2013-02-05 | 公開日 | 2013-07-24 | 最終更新日 | 2013-09-04 | 実験手法 | X-RAY DIFFRACTION (1.783 Å) | 主引用文献 | Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template. J.Am.Chem.Soc., 135, 2013
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4J2M
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![BU of 4j2m by Molmil](/molmil-images/mine/4j2m) | |
3URB
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![BU of 3urb by Molmil](/molmil-images/mine/3urb) | Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H | 分子名称: | COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, IMIDAZOLE, ... | 著者 | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | 登録日 | 2011-11-21 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3URA
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![BU of 3ura by Molmil](/molmil-images/mine/3ura) | Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T | 分子名称: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase | 著者 | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | 登録日 | 2011-11-21 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3URN
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![BU of 3urn by Molmil](/molmil-images/mine/3urn) | Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T with cyclohexyl methylphosphonate inhibitor | 分子名称: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase, ... | 著者 | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | 登録日 | 2011-11-22 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3UPM
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![BU of 3upm by Molmil](/molmil-images/mine/3upm) | Crystal Structure of PTE mutant H254Q/H257F/K185R/I274N | 分子名称: | COBALT (II) ION, Parathion hydrolase | 著者 | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | 登録日 | 2011-11-18 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3UR5
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![BU of 3ur5 by Molmil](/molmil-images/mine/3ur5) | Crystal Structure of PTE mutant K185R/I274N | 分子名称: | COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, Parathion hydrolase | 著者 | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | 登録日 | 2011-11-21 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3URQ
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![BU of 3urq by Molmil](/molmil-images/mine/3urq) | Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H with cyclohexyl methylphosphonate inhibitor | 分子名称: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase, ... | 著者 | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | 登録日 | 2011-11-22 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3UR2
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![BU of 3ur2 by Molmil](/molmil-images/mine/3ur2) | Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V | 分子名称: | 1,2-ETHANEDIOL, COBALT (II) ION, IMIDAZOLE, ... | 著者 | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | 登録日 | 2011-11-21 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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