9XMJ: Nuclear receptor ROR-gamma

A Potent and Selective ROR gamma Inhibitor for the Treatment of Autoimmune Diseases. Determined by X-ray diffraction at 2.18 Å resolution. Released 29 Apr 2026.

Method: X-ray diffraction
Resolution: 2.18 Å
Organism: Homo sapiens
Chains: 8
Atoms: 8,058
Mol. weight: 130.94 kDa
Ligands: A1MCM
Released: 29 Apr 2026

Explore 9XMJ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9XMJ contains 64 α-helices and 16 β-strands across 8 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 15 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	267-284	18
α-helix	289-294	6
α-helix	295-297	3
β-strand	299	1	1
α-helix	302-309	8
α-helix	313-336	24
α-helix	346-364	19
α-helix	365-368	4
β-strand	369-370	2	1
β-strand	375-378	4	1
β-strand	381-383	3	1
α-helix	385-391	7
α-helix	394-409	16
α-helix	414-425	12
α-helix	436-456	21
α-helix	462-464	3
α-helix	466-468	3
α-helix	470-485	16
α-helix	487-489	3

Chains B, D, F and H: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	2348-2358	11

Chains C and G: 15 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	267-284	18
α-helix	289-294	6
α-helix	295-297	3
β-strand	299	1	2
α-helix	302-309	8
α-helix	313-336	24
α-helix	346-365	20
α-helix	366-368	3
β-strand	369-370	2	2
β-strand	375-378	4	2
β-strand	381-383	3	2
α-helix	385-391	7
α-helix	394-408	15
α-helix	414-425	12
α-helix	436-456	21
α-helix	462-465	4
α-helix	466-468	3
α-helix	470-485	16
α-helix	487-489	3

Chain E: 15 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	267-283	17
α-helix	289-294	6
α-helix	295-297	3
β-strand	299	1	3
α-helix	302-309	8
α-helix	313-336	24
α-helix	346-365	20
α-helix	366-368	3
β-strand	369-370	2	3
β-strand	375-378	4	3
β-strand	381-383	3	3
α-helix	385-391	7
α-helix	394-409	16
α-helix	414-425	12
α-helix	436-456	21
α-helix	462-464	3
α-helix	466-468	3
α-helix	470-485	16
α-helix	487-489	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Nuclear receptor ROR-gamma	A, C, E, G	protein	258	Homo sapiens	P51449 (AlphaFold model)
Nuclear receptor corepressor 2	B, D, F, H	protein	22	Homo sapiens	Q9Y618 (AlphaFold model)

Sequence of entity 1 (A, C, E, G), FASTA

>9XMJ_1 Nuclear receptor ROR-gamma (chains A, C, E, G)
EAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERC
AHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEG
KYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVE
QLQYNLELAFHHHLCKTHRQSILAKLPPAGKLASLCSQHVERLQIFQHLHPIVVQAAFPP
LYKELFSTETESPVGLSK

Sequence of entity 2 (B, D, F, H), FASTA

>9XMJ_2 Nuclear receptor corepressor 2 (chains B, D, F, H)
TNMGLEAIIRKALMGKYDQWEE

Ligands and cofactors

ID	Name	Formula	Copies
A1MCM	(4~{S})-4-[3-chloranyl-4-(2,2-dimethylpropoxy)phenyl]-~{N},~{N},6-trimethyl-2-o…	C19 H26 Cl N3 O3	4

Primary citation

A potent and selective ROR gamma inhibitor for the treatment of autoimmune diseases. Ikenogami, T., Yokota, M., Fujioka, S. et al. Bioorg Med Chem Lett (2026) 132:130494-130494. DOI 10.1016/j.bmcl.2025.130494 · PubMed

Other PDB entries of the same protein (UniProt P51449 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7NPC 1.47 Å, ROR(gamma)t ligand binding domain in complex with allosteric ligand FM156
6T4X 1.48 Å, ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric…
5APH 1.54 Å, Ligand complex of RORg LBD
6R7K 1.54 Å, Ligand complex of RORg LBD
7NP5 1.55 Å, ROR(gamma)t ligand binding domain in complex with allosteric ligand FM216
6W9I 1.61 Å, Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma…
6SAL 1.61 Å, ROR(gamma)t ligand binding domain in complex with allosteric ligand FM26
7OFK 1.61 Å, Ligand complex of RORg LBD
6T4T 1.62 Å, ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and…
7KXD 1.62 Å, Crystal structure of rar-related orphan receptor C (nhis-RORGT(244-487)-L6-SRC1(678-692))…
9N9L 1.64 Å, An RORgt Inverse agonist for treatment of Psoriasis
5NTW 1.64 Å, Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding…

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