9FIT

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)	7-methyl-3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-[(5-pyrimidin-5-ylthiophen-2-yl)methyl]piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one	non-polymer		623.8	2	Chemie (A1ICT)
3	E, F (A, B)	water	water		18.0	87	Chemie (HOH)

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	1247.5
All*	Total formula weight	83392.3

*Water molecules are not included.