5SSP
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![BU of 5ssp by Molmil](/molmil-images/mine/5ssp) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5459166285 - (R,R) and (S,S) isomers | Descriptor: | (1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3 | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2022-06-09 | Release date: | 2022-07-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.15 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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5SQ1
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![BU of 5sq1 by Molmil](/molmil-images/mine/5sq1) | |
5SRR
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![BU of 5srr by Molmil](/molmil-images/mine/5srr) | |
5SQ2
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![BU of 5sq2 by Molmil](/molmil-images/mine/5sq2) | |
5SQ3
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![BU of 5sq3 by Molmil](/molmil-images/mine/5sq3) | |
5SSC
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![BU of 5ssc by Molmil](/molmil-images/mine/5ssc) | |
5SPY
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![BU of 5spy by Molmil](/molmil-images/mine/5spy) | |
5SRY
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![BU of 5sry by Molmil](/molmil-images/mine/5sry) | |
5SQ4
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![BU of 5sq4 by Molmil](/molmil-images/mine/5sq4) | |
5SQ8
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![BU of 5sq8 by Molmil](/molmil-images/mine/5sq8) | |
5SPH
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![BU of 5sph by Molmil](/molmil-images/mine/5sph) | |
5SPK
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![BU of 5spk by Molmil](/molmil-images/mine/5spk) | |
5SPL
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![BU of 5spl by Molmil](/molmil-images/mine/5spl) | |
5SPJ
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![BU of 5spj by Molmil](/molmil-images/mine/5spj) | |
5SPN
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![BU of 5spn by Molmil](/molmil-images/mine/5spn) | |
5SPM
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![BU of 5spm by Molmil](/molmil-images/mine/5spm) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00002410346 | Descriptor: | 4-hydroxy-6-(3-hydroxy-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carbonyl)-2H-pyran-2-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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5SPO
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![BU of 5spo by Molmil](/molmil-images/mine/5spo) | |
5SPP
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![BU of 5spp by Molmil](/molmil-images/mine/5spp) | |
5SPR
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![BU of 5spr by Molmil](/molmil-images/mine/5spr) | |
5SPU
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![BU of 5spu by Molmil](/molmil-images/mine/5spu) | |
5SPT
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![BU of 5spt by Molmil](/molmil-images/mine/5spt) | |
5SPS
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![BU of 5sps by Molmil](/molmil-images/mine/5sps) | |
5SPV
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![BU of 5spv by Molmil](/molmil-images/mine/5spv) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250003774401 | Descriptor: | 2-[methyl-[(9-oxidanylidene-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl)carbonyl]amino]ethanoic 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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5SPQ
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![BU of 5spq by Molmil](/molmil-images/mine/5spq) | |
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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