7K9U

Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00429

Summary for 7K9U

Entry DOI	10.2210/pdb7k9u/pdb
Related	7K9R 7K9S
Descriptor	Hsp90-like protein, (5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone (3 entities in total)
Functional Keywords	cryptococcus, hsp90, atp-binding, inhibitor, chaperone
Biological source	Cryptococcus neoformans
Total number of polymer chains	2
Total formula weight	49802.13
Authors	Kuntz, D.A.,Prive, G.G. (deposition date: 2020-09-29, release date: 2021-01-27, Last modification date: 2023-10-18)
Primary citation	Marcyk, P.T.,LeBlanc, E.V.,Kuntz, D.A.,Xue, A.,Ortiz, F.,Trilles, R.,Bengtson, S.,Kenney, T.M.G.,Huang, D.S.,Robbins, N.,Williams, N.S.,Krysan, D.J.,Prive, G.G.,Whitesell, L.,Cowen, L.E.,Brown, L.E. Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity. J.Med.Chem., 64:1139-1169, 2021 Cited by PubMed: 33444025 DOI: 10.1021/acs.jmedchem.0c01777 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.92 Å)

Structure validation