9MJY: WRN helicase with bound allosteric compound 1

Crystal structure of WRN helicase with bound allosteric compound 1. Determined by X-ray diffraction at 1.63 Å resolution. Released 14 Jan 2026.

Method: X-ray diffraction
Resolution: 1.63 Å
Organism: Homo sapiens
Chains: 1
Atoms: 3,833
Mol. weight: 51.74 kDa
Ligands: A1BL0, ZN
Released: 14 Jan 2026

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

Secondary structure: helices and β-sheets

9MJY contains 24 α-helices and 18 β-strands across 1 chain. 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: 24 helices, 18 β-strands

Element	Residues	Length	Sheet
α-helix	531-532	2
α-helix	534-544	11
α-helix	551-558	8
α-helix	559-563	5
β-strand	567-570	4	1
α-helix	575-588	14
β-strand	591-595	5	1
α-helix	599-611	13
β-strand	616-618	3	1
α-helix	624-632	9
β-strand	638-641	4	1
α-helix	643-647	5
α-helix	650-659	10
β-strand	662-667	6	1
α-helix	670-673	4
α-helix	682-689	8
α-helix	690-693	4
β-strand	699-703	5	1
α-helix	708-717	10
β-strand	724-727	4	1
β-strand	735-741	7	2
α-helix	746-750	5
α-helix	751-753	3
β-strand	755-757	3	3
β-strand	760-762	3	3
β-strand	767-770	4	2
α-helix	774-785	12
β-strand	791-794	4	2
α-helix	800-811	12
β-strand	817-820	4	2
β-strand	825	1	4
β-strand	827	1	4
β-strand	835-839	5	2
α-helix	845-852	8
β-strand	862-868	7	2
α-helix	873-875	3
α-helix	877-881	5
α-helix	886-904	19
α-helix	909-917	9
α-helix	920-924	5
β-strand	936	1	2
α-helix	937-940	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN	A	protein	443	Homo sapiens	Q14191 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>9MJY_1 Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN (chains A)
NLGLPTKEEEEDDENEANEGEEDDDKDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHS
VLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFL
GSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHD
FRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEV
RRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMS
FSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDG
LQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFED
KQVQKASLGIMGTEKCCDNCRSR

Ligands and cofactors

ID	Name	Formula	Copies
A1BL0	(3-{[4-(trifluoromethyl)phenyl]carbamoyl}furan-2-yl)acetic acid	C14 H10 F3 N O4	2
ZN	Zinc ion	Zn	1

Water and common crystallization additives (DMS, EDO, CL) are not listed.

Primary citation

WRN structural flexibility showcased through fragment-based lead discovery of inhibitors. Palte, R.L., Mandal, M., Sikorska, J. et al. Nat Commun (2026) 17:79-79. DOI 10.1038/s41467-025-66768-8 · PubMed

Other PDB entries of the same protein (UniProt Q14191 (AlphaFold model), which also has an AlphaFold model), best resolution first:

10AK 1.37 Å, Crystal Structure of Human WRN helicase with compound 4
7GQU 1.54 Å, Crystal Structure of Werner helicase fragment 517-945 in covalent complex with…
9OWB 1.56 Å, Human WRN helicase in complex with allosteric ligand Compound 6
7GQS 1.57 Å, Crystal Structure of Werner helicase fragment 517-945 in complex with ADP
9MJU 1.58 Å, Crystal structure of WRN helicase with allosteric fragment 1
7XUT 1.6 Å, Crystal structure of RPA70N-WRN fusion
8PFP 1.6 Å, Crystal structure of WRN helicase domain in complex with ATPgammaS
9OG8 1.66 Å, Crystal structure of WRN in complex with compound 43
9OWC 1.67 Å, Human WRN helicase in complex with allosteric ligand Compound 7
9MJZ 1.7 Å, Crystal structure of WRN helicase with bound allosteric compound 3
9MJT 1.73 Å, Crystal structure of apo WRN helicase in Form D
9MJX 1.73 Å, Crystal structure of WRN helicase with bound allosteric fragment 4

Browse structure collections

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