5SON
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![BU of 5son by Molmil](/molmil-images/mine/5son) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000920153280 - (R) isomer | Descriptor: | 3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole, Non-structural protein 3 | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2022-06-09 | Release date: | 2022-07-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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5SOL
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![BU of 5sol by Molmil](/molmil-images/mine/5sol) | |
5SOJ
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![BU of 5soj by Molmil](/molmil-images/mine/5soj) | |
5SOK
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![BU of 5sok by Molmil](/molmil-images/mine/5sok) | |
5SOM
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![BU of 5som by Molmil](/molmil-images/mine/5som) | |
5SOS
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![BU of 5sos by Molmil](/molmil-images/mine/5sos) | |
5SOT
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![BU of 5sot by Molmil](/molmil-images/mine/5sot) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000292637864 - (R) and (S) isomers | Descriptor: | Non-structural protein 3, {1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol, {1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2022-06-09 | Release date: | 2022-07-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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5SOX
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![BU of 5sox by Molmil](/molmil-images/mine/5sox) | |
5SOW
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![BU of 5sow by Molmil](/molmil-images/mine/5sow) | |
5SOP
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![BU of 5sop by Molmil](/molmil-images/mine/5sop) | |
5SOV
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![BU of 5sov by Molmil](/molmil-images/mine/5sov) | |
5SOU
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![BU of 5sou by Molmil](/molmil-images/mine/5sou) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000285507655 - (R) and (S) isomers | Descriptor: | 5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one, 5-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one, Non-structural protein 3 | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2022-06-09 | Release date: | 2022-07-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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5SOO
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![BU of 5soo by Molmil](/molmil-images/mine/5soo) | |
5SOR
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![BU of 5sor by Molmil](/molmil-images/mine/5sor) | |
5SOQ
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![BU of 5soq by Molmil](/molmil-images/mine/5soq) | |
5SP1
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![BU of 5sp1 by Molmil](/molmil-images/mine/5sp1) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC001472868186 | Descriptor: | 3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one, Non-structural protein 3 | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2022-06-09 | Release date: | 2022-07-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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5SPG
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![BU of 5spg by Molmil](/molmil-images/mine/5spg) | |
5SOY
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![BU of 5soy by Molmil](/molmil-images/mine/5soy) | |
5SP0
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![BU of 5sp0 by Molmil](/molmil-images/mine/5sp0) | |
5SPF
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![BU of 5spf by Molmil](/molmil-images/mine/5spf) | |
5SP4
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![BU of 5sp4 by Molmil](/molmil-images/mine/5sp4) | |
5SPW
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![BU of 5spw by Molmil](/molmil-images/mine/5spw) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00004674769 - (R,S,R) isomer | Descriptor: | (1R,5S,6R)-3-(7H-purin-6-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid, Non-structural protein 3 | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2022-06-09 | Release date: | 2022-07-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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5SP3
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![BU of 5sp3 by Molmil](/molmil-images/mine/5sp3) | |
5SP6
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![BU of 5sp6 by Molmil](/molmil-images/mine/5sp6) | |
5SP2
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![BU of 5sp2 by Molmil](/molmil-images/mine/5sp2) | |