2YE8

HSP90 inhibitors and drugs from fragment and virtual screening

Summary for 2YE8

• Entry DOI: 10.2210/pdb2ye8/pdb
• Related: 1BYQ 1OSF 1UY6 1UY7 1UY8 1UY9 1UYC 1UYD 1UYE 1UYF 1UYG 1UYH 1UYI 1UYK 1UYL 1YC1 1YC3 1YC4 1YER 1YES 1YET 2BSM 2BT0 2BUG 2BYH 2BYI 2BZ5 2C2L 2CCS 2CCT 2CCU 2CDD 2FWY 2FWZ 2JJC 2UWD 2VCI 2VCJ 2WI1 2WI2 2WI3 2WI4 2WI5 2WI6 2WI7 2XAB 2XDK 2XDL 2XDS 2XDU 2XDX 2XHR 2XHT 2XHX 2XJG 2XJJ 2XJX 2XK2 2YE2 2YE3 2YE4 2YE5 2YE6 2YE7 2YE9 2YEA 2YEB 2YEC 2YED 2YEE 2YEF 2YEG 2YEH 2YEI 2YEJ
• Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, METHYL 3-ISOXAZOL-5-YL-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE, ... (4 entities in total)
• Functional Keywords: pu3, atpase, chaperone, stress response, nucleotide-binding, atp-binding, phosphoprotein, phosphorylation
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Cytoplasm: P07900
• Total number of polymer chains: 1
• Total formula weight: 28764.40

Authors

Roughley, S.D.,Hubbard, R.E.,Baker, L.M. (deposition date: 2011-03-25, release date: 2011-06-15, Last modification date: 2023-12-20)

• Primary citation: Roughley, S.D.,Hubbard, R.E.; How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.; J.Med.Chem., 54:3989-, 2011; PubMed: 21561141; DOI: 10.1021/JM200350G

Experimental method

X-RAY DIFFRACTION (2.3 Å)