5V19

Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Mitogen-activated protein kinase kinase kinase 5	polymer	271	30509.9	2	UniProt (Q99683) Pfam (PF00069)	Homo sapiens (Human)	Apoptosis signal-regulating kinase 1,ASK-1,MAPK/ERK kinase kinase 5,MEKK 5
2	C, D (A, B)	N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide	non-polymer		205.2	2	Chemie (8V4)
3	E, F (A, B)	water	water		18.0	7	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61019.8
Non-Polymers*	Number of molecules	2
	Total formula weight	410.4
All*	Total formula weight	61430.2

*Water molecules are not included.