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Structure paper

TitleDiscovery of first-in-class inhibitors of the TRF1:TIN2 protein:protein interaction by fragment screening.
Journal, issue, pagesSci Rep, Vol. 15, Page 40922-40922, Year 2025
Publish dateNov 11, 2024 (structure data deposition date)
AuthorsCasale, G. / Liu, M. / Le Bihan, Y.V. / Inian, O. / Stammers, E. / Caldwell, J. / van Montfort, R.L.M. / Collins, I. / Guettler, S.
External linksSci Rep / PubMed:41266376
MethodsX-ray diffraction
Resolution1.55 - 2.5 Å
Structure data

PDB-9hcl:
Crystal structure of human TRF1 TRFH domain in complex with compound 12
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-9hcm:
Crystal structure of human TRF1 TRFH domain in complex with compound 45
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

PDB-9hcn:
Crystal structure of human TRF1 TRFH domain in complex with compound 46
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-9hcp:
Crystal structure of human TRF1 TRFH domain in complex with compound 15
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-9hcq:
Crystal structure of human TRF1 TRFH domain in complex with compound 47
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-9hcr:
Crystal structure of human TRF1 TRFH domain in complex with compound 48
Method: X-RAY DIFFRACTION / Resolution: 1.931 Å

PDB-9hcs:
Crystal structure of human TRF1 TRFH domain in complex with compound 49
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-9hct:
Crystal structure of human TRF1 TRFH domain in complex with compound 50
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-9hcu:
Crystal structure of human TRF1 TRFH domain in complex with compound 51
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-9hcv:
Crystal structure of human TRF1 TRFH domain in complex with compound 16
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-9hcw:
Crystal structure of human TRF1 TRFH domain in complex with compound 52
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-9hcx:
Crystal structure of human TRF1 TRFH domain in complex with compound 53
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-9hcy:
Crystal structure of human TRF1 TRFH domain in complex with compound 54
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-9hcz:
Crystal structure of human TRF1 TRFH domain in complex with compound 6
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-9hd0:
Crystal structure of human TRF1 TRFH domain in complex with compound 55
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-9hd1:
Crystal structure of human TRF1 TRFH domain in complex with compound 59
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-9hd2:
Crystal structure of human TRF1 TRFH domain in complex with compound 40
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-9hd3:
Crystal structure of human TRF1 TRFH domain in complex with compound 27
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

PDB-9hd9:
Crystal structure of human TRF1 TRFH domain in complex with compound 1
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-9hda:
Crystal structure of human TRF1 TRFH domain in complex with compound 58
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-9hf4:
Crystal structure of human TRF1 TRFH domain in complex with compound 32
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

PDB-9hf6:
Crystal structure of human TRF1 TRFH domain in complex with compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-9hf7:
Crystal structure of human TRF1 TRFH domain in complex with compound 3
Method: X-RAY DIFFRACTION / Resolution: 2.38 Å

PDB-9hf8:
Crystal structure of human TRF1 TRFH domain in complex with compound 4
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

PDB-9hf9:
Crystal structure of human TRF1 TRFH domain in complex with compound 5
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-9hfa:
Crystal structure of human TRF1 TRFH domain in complex with compound 6
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-9hfb:
Crystal structure of human TRF1 TRFH domain in complex with compound 7
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

PDB-9hfc:
Crystal structure of human TRF1 TRFH domain in complex with compound 8
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

PDB-9hfd:
Crystal structure of human TRF1 TRFH domain in complex with compound 9
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-9hfe:
Crystal structure of human TRF1 TRFH domain in complex with compound 10
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-9hff:
Crystal structure of human TRF1 TRFH domain in complex with compound 11
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-9hfg:
Crystal structure of human TRF1 TRFH domain in complex with compound 14
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-9hfh:
Crystal structure of human TRF1 TRFH domain in complex with compound 16
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-9hfi:
Crystal structure of human TRF1 TRFH domain in complex with compound 17
Method: X-RAY DIFFRACTION / Resolution: 2.44 Å

PDB-9hhk:
Crystal structure of human TRF1 TRFH domain in complex with compound 2
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-9hlp:
Crystal structure of human TRF1 TRFH domain in complex with compound 18
Method: X-RAY DIFFRACTION / Resolution: 2.24 Å

PDB-9hlq:
Crystal structure of human TRF1 TRFH domain in complex with compound 57
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-9hlr:
Crystal structure of human TRF1 TRFH domain in complex with compound 15
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

PDB-9hlt:
Crystal structure of human TRF1 TRFH domain in complex with compound 13
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-9hlu:
Crystal structure of human TRF1 TRFH domain in complex with compound 19
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

Chemicals

ChemComp-TWC:
2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-LX7:
1-[4-(trifluoromethyloxy)phenyl]thiourea

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CA:
Unknown entry

ChemComp-UVA:
N-methyl-2-(methylsulfonyl)aniline

ChemComp-LL0:
2-(difluoromethoxy)benzene-1-sulfonamide

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-JHJ:
N-(4-methoxyphenyl)-N'-pyridin-4-ylurea

ChemComp-W1P:
5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

ChemComp-JGA:
N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea

ChemComp-B0V:
2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide

ChemComp-ZU7:
N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide

PDB-1itz:
Maize Transketolase in complex with TPP

PDB-1it0:
Crystal structure of xylanase from Streptomyces olivaceoviridis E-86 complexed with lactose

ChemComp-W0S:
1-(3,4,5-trimethoxyphenyl)methanamine

ChemComp-A9E:
2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone

ChemComp-TT3:
2-(3-fluorophenoxy)-N,N-dimethylacetamide

ChemComp-XH1:
N-propan-2-ylurea

PDB-1ity:
Solution structure of the DNA binding domain of human TRF1

PDB-1itx:
Catalytic Domain of Chitinase A1 from Bacillus circulans WL-12

ChemComp-UUP:
N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

ChemComp-PYZ:
4-IODOPYRAZOLE

PDB-1iuc:
Fucose-specific lectin from Aleuria aurantia with three ligands

ChemComp-JFP:
N-(4-methyl-1,3-thiazol-2-yl)propanamide

ChemComp-T9Q:
N-Benzyl-2-methoxyacetamide

ChemComp-NZ1:
5-methoxy-1,3-benzothiazol-2-amine

ChemComp-JP4:
[2-(morpholin-4-yl)phenyl]methanol

ChemComp-WHM:
2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione

ChemComp-VW4:
(2S)-2-phenylpropane-1-sulfonamide

ChemComp-PK4:
2-fluoro-N,3-dimethylbenzene-1-sulfonamide

PDB-1iue:
Crystal Structure Analysis of ferredoxin from Plasmodium falciparum

PDB-1a34:
SATELLITE TOBACCO MOSAIC VIRUS/RNA COMPLEX


PDB Unreleased entry

PDB-1bgh: Unknown entry

PDB-1iu1:
Crystal structure of human gamma1-adaptin ear domain

PDB-1iv7:
Crystal Structure of Single Chain Monellin

ChemComp-HHQ:
4-iodanyl-3~{H}-pyridin-2-one

ChemComp-UJK:
1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid

ChemComp-UUG:
(4-bromo-2-methoxyphenyl)methanol

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / Telomere / Shelterin / Inhibitor

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