5P1C
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5P89
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5P1Q
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7SF3
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![BU of 7sf3 by Molmil](/molmil-images/mine/7sf3) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006m | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-02 | Release date: | 2022-10-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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5P8R
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5P26
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7SFH
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![BU of 7sfh by Molmil](/molmil-images/mine/7sfh) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML102 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CALCIUM ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-03 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases To Be Published
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5P2K
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5P2Z
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3CBX
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5P3D
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5P3T
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3CCW
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![BU of 3ccw by Molmil](/molmil-images/mine/3ccw) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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8CNZ
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![BU of 8cnz by Molmil](/molmil-images/mine/8cnz) | mmLarE-[4Fe-4S] phased by Fe-SAD | Descriptor: | CHLORIDE ION, IODIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Pecqueur, L, Zecchin, P, Golinelli-Pimpaneau, B. | Deposit date: | 2023-02-24 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure-based insights into the mechanism of [4Fe-4S]-dependent sulfur insertase LarE. Protein Sci., 33, 2024
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5P48
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5P4L
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3CD3
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![BU of 3cd3 by Molmil](/molmil-images/mine/3cd3) | Crystal structure of phosphorylated human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide | Descriptor: | CHLORIDE ION, Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, ... | Authors: | Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-26 | Release date: | 2008-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation Cell(Cambridge,Mass.), 134, 2008
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5P50
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8C6R
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![BU of 8c6r by Molmil](/molmil-images/mine/8c6r) | PBP AccA from A. tumefaciens Bo542 in apoform 4 | Descriptor: | 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA, DI(HYDROXYETHYL)ETHER, ... | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2023-01-12 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.884 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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5P5I
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5P5V
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7SFB
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5P6B
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7SFI
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![BU of 7sfi by Molmil](/molmil-images/mine/7sfi) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML104 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CALCIUM ION, ... | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-03 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases To Be Published
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5P6R
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