7TX0
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![BU of 7tx0 by Molmil](/molmil-images/mine/7tx0) | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 9 (P43 crystal form) | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2022-02-07 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.84 Å) | Cite: | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 9 (P43 crystal form) To Be Published
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7TWO
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![BU of 7two by Molmil](/molmil-images/mine/7two) | |
7TWX
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![BU of 7twx by Molmil](/molmil-images/mine/7twx) | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 7 (P43 crystal form) | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2022-02-07 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 7 (P43 crystal form) To Be Published
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7TX4
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![BU of 7tx4 by Molmil](/molmil-images/mine/7tx4) | |
5SRW
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![BU of 5srw by Molmil](/molmil-images/mine/5srw) | |
5SQ0
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![BU of 5sq0 by Molmil](/molmil-images/mine/5sq0) | |
5SPZ
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![BU of 5spz by Molmil](/molmil-images/mine/5spz) | |
5SSB
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![BU of 5ssb by Molmil](/molmil-images/mine/5ssb) | |
5SPX
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![BU of 5spx by Molmil](/molmil-images/mine/5spx) | |
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) | |
5SSC
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![BU of 5ssc by Molmil](/molmil-images/mine/5ssc) | |
5SQ3
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![BU of 5sq3 by Molmil](/molmil-images/mine/5sq3) | |
5SRY
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![BU of 5sry by Molmil](/molmil-images/mine/5sry) | |
5SPY
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![BU of 5spy by Molmil](/molmil-images/mine/5spy) | |
5SQ4
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![BU of 5sq4 by Molmil](/molmil-images/mine/5sq4) | |
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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5SQ8
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![BU of 5sq8 by Molmil](/molmil-images/mine/5sq8) | |
5SRX
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![BU of 5srx by Molmil](/molmil-images/mine/5srx) | |
5SQB
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![BU of 5sqb by Molmil](/molmil-images/mine/5sqb) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894390 - (R,R) and (S,S) isomers | Descriptor: | (1R,2R)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-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 (1.05 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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5SQC
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![BU of 5sqc by Molmil](/molmil-images/mine/5sqc) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894388 - (R,R) and (S,S) isomers | Descriptor: | (1R,2R)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-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 (1.05 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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5SSE
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![BU of 5sse by Molmil](/molmil-images/mine/5sse) | |
5SQ6
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![BU of 5sq6 by Molmil](/molmil-images/mine/5sq6) | |