ISDA: 9TD3

Deposition Date 2025-11-22

Release Date 2026-04-22

Last Version Date 2026-04-22

Entry Detail

PDB ID:

9TD3

Keywords:

PEPTIDE BINDING PROTEIN

Title:

ERAP1 in complex with 1-[2-(6-bromo-2,2-difluoro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]cyclohexane-1-carboxylic acid

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

spodoptera frugiperda

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.57 Å

R-Value Free:

0.19

R-Value Work:

0.16

R-Value Observed:

0.16

Space Group:

P 21 21 2

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

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

A1JVD

EDO

PO4

Primary Citation

Automated Molecular Design in BRADSHAW, Applied to the Optimization of ERAP1 Inhibitors.

Law, R.P, Wall, I.D, Lonsdale, R, Hryczanek, R.P, Barker, D, Barrett, T.N, Bit, R.A, Coward, J.J, Gray, M.W, Green, D.V.S, Hall, C.J, Hancock, A.P, Haslam, C, Hirst, D.J, Hryczanek, H.F, Hutchinson, J.P, Kitchen, S, Marcus, D, Marklew, J, Mason, J, Measom, N.D, Neu, M, Peace, S, Phillipou, A, Pickett, S.D, Pogany, P, Rowedder, J, Rowland, P, Scott-Stevens, P, Seal, G.A.L, Sheehan, H, Stratikos, E, Tayler, C, Taylor, J.A, Tinworth, C.P, Vitulli, G.Show

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

PMID: 41973545 DOI: 10.1021/acs.jmedchem.5c03071

Primary Citation of related structures

Feedback Form