7FVA
PanDDA analysis group deposition -- PHIP in complex with Z4913872963
Summary for 7FVA
| Entry DOI | 10.2210/pdb7fva/pdb |
| Group deposition | PanDDA analysis group deposition (G_1002265) |
| Descriptor | PH-interacting protein, (2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide (3 entities in total) |
| Functional Keywords | false negatives, ligand features, rescreening, catalogue, fragment follow-ups, automated chemistry, signaling protein |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 17919.21 |
| Authors | Grosjean, H.,Tomlinson, C.,Bradshaw, W.J.,Koekemoer, L.,Krojer, T.,Fearon, D.,Biggin, P.C.,von Delft, F. (deposition date: 2023-03-09, release date: 2023-03-29, Last modification date: 2026-01-21) |
| Primary citation | Grosjean, H.,Fieseler, K.K.,Sanchez-Garcia, R.,Thompson, W.,Deane, C.M.,von Delft, F.,Biggin, P.C. Structure-activity relationships can be directly extracted from high-throughput crystallographic evaluation of fragment elaborations in crude reaction mixtures Chem Sci, 2026 Cited by DOI: 10.1039/D5SC04919APDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.19 Å) |
Structure validation
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