5SR6
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![BU of 5sr6 by Molmil](/molmil-images/mine/5sr6) | |
5SS9
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![BU of 5ss9 by Molmil](/molmil-images/mine/5ss9) | |
5SRQ
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![BU of 5srq by Molmil](/molmil-images/mine/5srq) | |
5SSE
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![BU of 5sse by Molmil](/molmil-images/mine/5sse) | |
5SSJ
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![BU of 5ssj by Molmil](/molmil-images/mine/5ssj) | |
5SQK
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![BU of 5sqk by Molmil](/molmil-images/mine/5sqk) | |
5SSQ
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![BU of 5ssq by Molmil](/molmil-images/mine/5ssq) | |
5SQW
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![BU of 5sqw by Molmil](/molmil-images/mine/5sqw) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5014193706 - (R,R) and (S,S) isomers | Descriptor: | (1R,2R)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-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 (1.05 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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5SQ1
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5SR8
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![BU of 5sr8 by Molmil](/molmil-images/mine/5sr8) | |
5SSR
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![BU of 5ssr by Molmil](/molmil-images/mine/5ssr) | |
5SRD
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![BU of 5srd by Molmil](/molmil-images/mine/5srd) | |
5SQ7
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![BU of 5sq7 by Molmil](/molmil-images/mine/5sq7) | |
5SRV
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![BU of 5srv by Molmil](/molmil-images/mine/5srv) | |
5SQE
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![BU of 5sqe by Molmil](/molmil-images/mine/5sqe) | |
5SS5
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![BU of 5ss5 by Molmil](/molmil-images/mine/5ss5) | |
5SQQ
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5SSD
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![BU of 5ssd by Molmil](/molmil-images/mine/5ssd) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCm4000007vvRA - (R,S) isomer | Descriptor: | (1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-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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5SQX
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![BU of 5sqx by Molmil](/molmil-images/mine/5sqx) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5183357278 - (R,R) and (S,S) isomers | Descriptor: | (1R,2R)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-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 (1.05 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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5SSM
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![BU of 5ssm by Molmil](/molmil-images/mine/5ssm) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5459166256 - (R,R) and (S,S) isomers | Descriptor: | (1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-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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5SR9
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![BU of 5sr9 by Molmil](/molmil-images/mine/5sr9) | |
5SRN
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![BU of 5srn by Molmil](/molmil-images/mine/5srn) | |
5SQM
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![BU of 5sqm by Molmil](/molmil-images/mine/5sqm) | |
5SRX
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![BU of 5srx by Molmil](/molmil-images/mine/5srx) | |
5SRU
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![BU of 5sru by Molmil](/molmil-images/mine/5sru) | |