ISDA: 9TFN

Deposition Date 2025-11-27

Release Date 2026-07-08

Last Version Date 2026-07-08

Entry Detail

PDB ID:

9TFN

Keywords:

PEPTIDE BINDING PROTEIN

Title:

ERAP1 in complex with (3R,4R)-1-{3-cyano-4-methyl-6-[(4-methyloxan-4-yl)amino]pyridin-2-yl}-4-(propan-2-yl)pyrrolidine-3-carboxylic acid

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Baculovirus expression vector pfastbac1-hm

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.74 Å

R-Value Free:

0.25

R-Value Work:

0.20

R-Value Observed:

0.21

Space Group:

P 21 21 2

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Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Endoplasmic reticulum aminope
Gene (Uniprot):ERAP1
Chain IDs:A
Chain Length:922
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:Q9NZ08 Pfam ID:PF17900, PF01433, PF11838 EC:3.4.11.1

Ligand Molecules

A1JV2

EDO

PO4

Primary Citation

Discovery of an Orally Available Potent ER Aminopeptidase 1 (ERAP1) Inhibitor That Enhances Antitumor Responses and Limits Inflammatory Autoimmunity In Vivo.

Tinworth, C.P, Wojno-Picon, J, Adam, M, Gade, S, Hancock, A.P, Hirst, D.J, Hutchinson, J.P, Kitchen, S, Koumantou, D, Lea, J, Lehmann, S, Liddle, J, Lonsdale, R, Neu, M, Nickels, L, Phillipou, A, Rowedder, J.E, Rowland, P, Schneck, J.L, Scott-Stevens, P, Sheehan, H, Steidel, M, Tayler, C.L, Temponeras, I, Thang, K, Tough, D.F, Vitulli, G, Wall, I.D, Young, R.J, Zinn, N, Peace, S, Stratikos, E.Show

J.Med.Chem. ? ? ? (2026)

PMID: 42324823 DOI: 10.1021/acs.jmedchem.6c00029

Primary Citation of related structures

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