6NZU
| Structure of the human frataxin-bound iron-sulfur cluster assembly complex | Descriptor: | Acyl carrier protein, Cysteine desulfurase, mitochondrial, ... | Authors: | Fox, N.G, Yu, X, Xidong, F, Alain, M, Joseph, N, Claire, S.D, Christine, B, Han, S, Yue, W.W. | Deposit date: | 2019-02-14 | Release date: | 2019-05-22 | Last modified: | 2019-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | 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
| Crystal Structure of a Deinococcus radiodurans PTE-like lactonase (drPLL) mutant Y28L/D71N/E101G/E179D/V235L/L270M | Descriptor: | COBALT (II) ION, Phosphotriesterase, putative | Authors: | Meier, M.M, Rajendran, C, Malisi, C, Fox, N.G, Xu, C, Schlee, S, Barondeau, D.P, Hocker, B, Sterner, R, Raushel, F.M. | Deposit date: | 2013-02-08 | Release date: | 2013-07-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template. J.Am.Chem.Soc., 135, 2013
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8UPS
| Structure of SARS-Cov2 3CLPro in complex with Compound 5 | Descriptor: | (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 | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | 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
| Structure of SARS-Cov2 3CLPro in complex with Compound 34 | Descriptor: | 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 | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | 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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8UTE
| Structure of SARS-Cov2 3CLPro in complex with Compound 27 | Descriptor: | 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 | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 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
| Structure of SARS-Cov2 3CLPro in complex with Compound 33 | Descriptor: | 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 | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | 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
| Molecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous Lactonase Template | Descriptor: | COBALT (II) ION, Phosphotriesterase, putative | Authors: | Sterner, R, Raushel, F, Meier, M, Rajendran, C, Malisi, C, Fox, N, Schlee, S, Barondeau, D, Cker, B.H. | Deposit date: | 2013-02-05 | Release date: | 2013-07-24 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template. J.Am.Chem.Soc., 135, 2013
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3UR2
| Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, IMIDAZOLE, ... | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2011-11-21 | Release date: | 2012-08-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3UR5
| Crystal Structure of PTE mutant K185R/I274N | Descriptor: | COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, Parathion hydrolase | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2011-11-21 | Release date: | 2012-08-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3URQ
| Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H with cyclohexyl methylphosphonate inhibitor | Descriptor: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase, ... | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2011-11-22 | Release date: | 2012-08-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3URB
| Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H | Descriptor: | COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, IMIDAZOLE, ... | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2011-11-21 | Release date: | 2012-08-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3URA
| Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T | Descriptor: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2011-11-21 | Release date: | 2012-08-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3URN
| Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T with cyclohexyl methylphosphonate inhibitor | Descriptor: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase, ... | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2011-11-22 | Release date: | 2012-08-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3UPM
| Crystal Structure of PTE mutant H254Q/H257F/K185R/I274N | Descriptor: | COBALT (II) ION, Parathion hydrolase | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2011-11-18 | Release date: | 2012-08-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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4J2M
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