9FIU

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	355	41072.4	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-[[1-[(3~{R},4~{R})-1-[5-(3-methoxypyridin-4-yl)thiophen-2-yl]carbonyl-3-phenyl-piperidin-4-yl]carbonyl-4-oxidanyl-piperidin-4-yl]methyl]-7-methyl-pyrrolo[2,3-d]pyrimidin-4-one	non-polymer		666.8	2	Chemie (A1ICX)

Sequence modifications

A, B: 207 - 560 (UniProt: Q93009)

PDB	External Database	Details
Gly 206	-	expression tag
Ala 409	Phe 409	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	82144.8
Non-Polymers*	Number of molecules	2
	Total formula weight	1333.6
All*	Total formula weight	83478.3

*Water molecules are not included.