8C04
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![BU of 8c04 by Molmil](/molmil-images/mine/8c04) | Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354) | Descriptor: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-15 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8C4F
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![BU of 8c4f by Molmil](/molmil-images/mine/8c4f) | Small molecule amidine soak in 14-3-3/ERa (AZ037) | Descriptor: | 14-3-3 protein sigma, 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2023-01-03 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BYZ
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![BU of 8byz by Molmil](/molmil-images/mine/8byz) | fragment-linked stabilizer for ERa - 14-3-3 interaction (AZ210) | Descriptor: | 14-3-3 protein sigma, 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-14 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BZ9
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![BU of 8bz9 by Molmil](/molmil-images/mine/8bz9) | single soak stabilizer for ERa - 14-3-3 interaction (AZ354) | Descriptor: | 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-14 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BYG
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![BU of 8byg by Molmil](/molmil-images/mine/8byg) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1047648) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, ~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-12 | Release date: | 2023-08-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BYO
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![BU of 8byo by Molmil](/molmil-images/mine/8byo) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2023-01-18 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BZW
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![BU of 8bzw by Molmil](/molmil-images/mine/8bzw) | Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210) | Descriptor: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-15 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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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) | |
5SPX
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![BU of 5spx by Molmil](/molmil-images/mine/5spx) | |
5SQ1
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![BU of 5sq1 by Molmil](/molmil-images/mine/5sq1) | |
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) | |
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) | |
5SQ8
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![BU of 5sq8 by Molmil](/molmil-images/mine/5sq8) | |
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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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) | |