8SHJ

Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279

Summary for 8SHJ

Entry DOI	10.2210/pdb8shj/pdb
Descriptor	WD repeat-containing protein 91, N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide (3 entities in total)
Functional Keywords	wd-repeat, wdr, wdr91, sgc, transport protein, structural genomics, psi-2, protein structure initiative, structural genomics consortium
Biological source	Homo sapiens (human)
Total number of polymer chains	3
Total formula weight	119665.89
Authors	Ahmad, H.,Zeng, H.,Dong, A.,Li, Y.,Hutchinson, A.,Seitova, A.,Xu, J.,Feng, J.W.,Brown, P.J.,Ackloo, S.,Arrowsmith, C.H.,Edwards, A.M.,Halabelian, L.,Structural Genomics Consortium (SGC) (deposition date: 2023-04-14, 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 Cited by PubMed: 37996079 DOI: 10.1021/acs.jmedchem.3c01471 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.21 Å)

Structure validation