8T55

Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654

Summary for 8T55

• Entry DOI: 10.2210/pdb8t55/pdb
• Descriptor: WD repeat-containing protein 91, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: wd-repeat, wdr, wdr91, sgc, covalent ligand, structural genomics, psi-2, protein structure initiative, structural genomics consortium, transport protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 3
• Total formula weight: 119806.07

Authors

Ahmad, H.,Zeng, H.,Dong, A.,Li, Y.,Yen, H.,Seitova, A.,Xu, J.,Feng, J.W.,Brown, P.J.,Santhakumar, V.,Ackloo, S.,Arrowsmith, C.H.,Edwards, A.M.,Halabelian, L.,Structural Genomics Consortium (SGC) (deposition date: 2023-06-12, release date: 2023-07-05, Last modification date: 2024-05-01)

• Primary citation: Ahmad, S.,Xu, J.,Feng, J.A.,Hutchinson, A.,Zeng, H.,Ghiabi, P.,Dong, A.,Centrella, P.A.,Clark, M.A.,Guie, M.A.,Guilinger, J.P.,Keefe, A.D.,Zhang, Y.,Cerruti, T.,Cuozzo, J.W.,von Rechenberg, M.,Bolotokova, A.,Li, Y.,Loppnau, P.,Seitova, A.,Li, Y.Y.,Santhakumar, V.,Brown, P.J.,Ackloo, S.,Halabelian, L.; Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.; J.Med.Chem., 66:16051-16061, 2023; PubMed: 37996079; DOI: 10.1021/acs.jmedchem.3c01471

Experimental method

X-RAY DIFFRACTION (2.2 Å)