5R8J
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![BU of 5r8j by Molmil](/molmil-images/mine/5r8j) | |
5R9O
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![BU of 5r9o by Molmil](/molmil-images/mine/5r9o) | |
5R8Z
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![BU of 5r8z by Molmil](/molmil-images/mine/5r8z) | |
5RA0
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![BU of 5ra0 by Molmil](/molmil-images/mine/5ra0) | |
5R9E
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![BU of 5r9e by Molmil](/molmil-images/mine/5r9e) | |
5R9U
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![BU of 5r9u by Molmil](/molmil-images/mine/5r9u) | |
5RA8
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![BU of 5ra8 by Molmil](/molmil-images/mine/5ra8) | |
5R8A
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![BU of 5r8a by Molmil](/molmil-images/mine/5r8a) | PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1492796719 in complex with INTERLEUKIN-1 BETA | Descriptor: | Interleukin-1 beta, SULFATE ION, ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-03 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5R8O
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![BU of 5r8o by Molmil](/molmil-images/mine/5r8o) | |
5R97
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![BU of 5r97 by Molmil](/molmil-images/mine/5r97) | PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13662a in complex with MAP kinase p38-alpha | Descriptor: | 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-04 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.438 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5R9L
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![BU of 5r9l by Molmil](/molmil-images/mine/5r9l) | |
5RA3
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![BU of 5ra3 by Molmil](/molmil-images/mine/5ra3) | |
5R8M
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![BU of 5r8m by Molmil](/molmil-images/mine/5r8m) | |
5R94
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![BU of 5r94 by Molmil](/molmil-images/mine/5r94) | |
5R9H
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![BU of 5r9h by Molmil](/molmil-images/mine/5r9h) | |
5R9Y
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![BU of 5r9y by Molmil](/molmil-images/mine/5r9y) | |
5R89
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![BU of 5r89 by Molmil](/molmil-images/mine/5r89) | |
5R8N
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![BU of 5r8n by Molmil](/molmil-images/mine/5r8n) | PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z57292400 in complex with INTERLEUKIN-1 BETA | Descriptor: | 3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide, Interleukin-1 beta, SULFATE ION | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-03 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5R95
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![BU of 5r95 by Molmil](/molmil-images/mine/5r95) | PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL093 in complex with MAP kinase p38-alpha | Descriptor: | 1,2-ETHANEDIOL, 1-(4-aminophenyl)pyrrole-2,5-dione, CHLORIDE ION, ... | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-04 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5R9G
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![BU of 5r9g by Molmil](/molmil-images/mine/5r9g) | PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment PC587 in complex with MAP kinase p38-alpha | Descriptor: | (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-04 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5R9X
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![BU of 5r9x by Molmil](/molmil-images/mine/5r9x) | |
5R86
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![BU of 5r86 by Molmil](/molmil-images/mine/5r86) | |
5R8H
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![BU of 5r8h by Molmil](/molmil-images/mine/5r8h) | |
5R8Y
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![BU of 5r8y by Molmil](/molmil-images/mine/5r8y) | |
5R9F
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![BU of 5r9f by Molmil](/molmil-images/mine/5r9f) | |