7K9S

Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with NVP-AUY922

Summary for 7K9S

• Entry DOI: 10.2210/pdb7k9s/pdb
• Related: 7K9R
• Descriptor: Hsp90-like protein, 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE (2 entities in total)
• Functional Keywords: cryptococcus, hsp90, atp-binding, inhibitor, chaperone
• Biological source: Cryptococcus neoformans
• Total number of polymer chains: 6
• Total formula weight: 146703.85

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; PubMed: 33444025; DOI: 10.1021/acs.jmedchem.0c01777

Experimental method

X-RAY DIFFRACTION (3.21 Å)