9FIS

Structure-guided discovery of selective USP7 inhibitors with in vivo activity

This is a non-PDB format compatible entry.

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)	Ubiquitin carboxyl-terminal hydrolase 7	polymer	360	41964.4	2	UniProt (Q93009) Pfam (PF00443)	Homo sapiens (human)	Deubiquitinating enzyme 7,Herpesvirus-associated ubiquitin-specific protease,Ubiquitin thioesterase 7,Ubiquitin-specific-processing protease 7
2	C, D (A, B)	3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-(2-phenylethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one	non-polymer		550.7	2	Chemie (A1ICW)
3	E, F (A, B)	water	water		18.0	67	Chemie (HOH)

Sequence modifications

A, B: 208 - 560 (UniProt: Q93009)

PDB	External Database	Details
Met 207	-	initiating methionine
His 561	-	expression tag
His 562	-	expression tag
His 563	-	expression tag
His 564	-	expression tag
His 565	-	expression tag
His 566	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83928.8
Non-Polymers*	Number of molecules	2
	Total formula weight	1101.4
All*	Total formula weight	85030.2

*Water molecules are not included.