5wir

Structure of the TRF1-TERB1 interface

Method: X-RAY DIFFRACTION D_max: 90.4 Å Quality: GOOD

▼

1. Protein Identity and Related Structures Protein Identity & Related Structures

Telomeric repeat-binding factor 1

Homo sapiens

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 62–265 Chain B； UniProt 62–265	Not recorded	TERB1-TBM × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 8.5；289 K；TRF1-TRFH and TERB1-TBM were mixed in a 1:5 molar ratio and crystal screens set up using 0.3 microliter protein solution and 0.3 microliter reservoir solution in a sitting drop format. Diffracting crystals were obtained in 0.1 M Tris-Cl (pH 8.5) and 30% PEG 300. Crystals were cryoprotected in the crystallization solution plus 10% PEG 400 and harvested in liquid nitrogen.	Resolution 2.10 Å R-free 0.210

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 5WIR	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1BA5 DNA-BINDING DOMAIN OF HUMAN TELOMERIC PROTEIN, HTRF1, NMR, 18 STRUCTURES Deposited 1998-04-22	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 378–430（53 aa） Fragment：DNA-BINDING DOMAIN	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.8；300 K；Ionic strength (raw mmCIF value) 100 mM PHOSPHATE POTASSIU；Pressure 1 NMR sample composition H2O	Resolution not provided
1H6O Dimerisation domain from human TRF1 Deposited 2001-06-20	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 62–265（204 aa） Fragment：DIMERISATION DOMAIN RESIDUES 63-265	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；PH6, 5-15% GLYCEROL, 1-5 MM MAGNESIUM ACETATE, 1 % PEG 8000, pH 6.00	Resolution 2.90 Å R-free 0.303
1ITY Solution structure of the DNA binding domain of human TRF1 Deposited 2002-02-15	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 371–439（69 aa） Fragment：DNA binding domain	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.8；300 K；Pressure ambient NMR sample composition 1.5-2.5mM TRF1 U-15N, 13C, 50mM phosphate buffer, 100mM NaCl \| 90% H2O, 10% D2O, 100% D2O	Resolution not provided
1IV6 Solution Structure of the DNA Complex of Human TRF1 Deposited 2002-03-14	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Monomer；Protein × 1 PDB declaration: trimeric	Chain A 371–439（69 aa） Fragment：DNA-binding domain	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.8；305 K；Pressure ambient NMR sample composition 1.5-2.5mM TRF1-DNA complex; 5mM Phosphate buffer with 10mM NaCl \| 90% H2O, 10% D2O or 100% D2O	Resolution not provided
1W0T hTRF1 DNA-binding domain in complex with telomeric DNA. Deposited 2004-06-11	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric	Chain A 379–431（53 aa） Fragment：DNA-BINDING DOMAIN, RESIDUES 379-431 Chain B 379–431（53 aa） Fragment：DNA-BINDING DOMAIN, RESIDUES 379-431	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；PROTEIN WAS CRYSTALLISED IN 50 MM MES, PH 6.0, 0.1 M KCL, 2 MM MGCL2 AND 10 % PEG 400 AND CRYOPROTECTED IN 20 % GLYCEROL	Resolution 2.00 Å R-free 0.273
3BQO Crystal Structure of TRF1 TRFH domain and TIN2 peptide complex Deposited 2007-12-20	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 58–268（211 aa） Fragment：TRFH domain, Dimerization domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.6；289 K；NaCl 2.5 M MgCl2 0.35 M Tris 0.1 M pH 8.6 DTT 5 mM , VAPOR DIFFUSION, HANGING DROP, temperature 289K	Resolution 2.00 Å R-free 0.237
3BQO Crystal Structure of TRF1 TRFH domain and TIN2 peptide complex Deposited 2007-12-20	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 58–268（211 aa） Fragment：TRFH domain, Dimerization domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.6；289 K；NaCl 2.5 M MgCl2 0.35 M Tris 0.1 M pH 8.6 DTT 5 mM , VAPOR DIFFUSION, HANGING DROP, temperature 289K	Resolution 2.00 Å R-free 0.237
3L82 X-ray Crystal structure of TRF1 and Fbx4 complex Deposited 2009-12-29	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 58–268（211 aa） Fragment：Dimerization domain residues 58-268	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.2；289 K；300 mM NH4H2PO4, 100 mM sodium citrate pH 6.2, 10% n-propanol and 10 mM DTT, VAPOR DIFFUSION, temperature 289K	Resolution 2.40 Å R-free 0.263
3L82 X-ray Crystal structure of TRF1 and Fbx4 complex Deposited 2009-12-29	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 58–268（211 aa） Fragment：Dimerization domain residues 58-268	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.2；289 K；300 mM NH4H2PO4, 100 mM sodium citrate pH 6.2, 10% n-propanol and 10 mM DTT, VAPOR DIFFUSION, temperature 289K	Resolution 2.40 Å R-free 0.263
3L82 X-ray Crystal structure of TRF1 and Fbx4 complex Deposited 2009-12-29	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 58–268（211 aa） Fragment：Dimerization domain residues 58-268	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.2；289 K；300 mM NH4H2PO4, 100 mM sodium citrate pH 6.2, 10% n-propanol and 10 mM DTT, VAPOR DIFFUSION, temperature 289K	Resolution 2.40 Å R-free 0.263
5HKP Crystal structure of mouse Tankyrase/human TRF1 complex Deposited 2016-01-14	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–55（55 aa） Fragment：UNP residues 1-55 Chain D 1–55（55 aa） Fragment：UNP residues 1-55	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.035M Calcium Chloride dihydrate 0.07M MES monohydrate pH6.0 0.03M Tris pH8.5 31.5% v/v Polyethylene glycol 200 6% v/v Ethanol	Resolution 2.20 Å R-free 0.229
5XUP Crystal structure of TRF1 and TERB1 Deposited 2017-06-24	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 65–266（202 aa） Fragment：TRFH domain (UNP RESIDUES 65-266) Chain B 65–266（202 aa） Fragment：TRFH domain (UNP RESIDUES 65-266)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 8.5；289 K；10% 2-propanol, 0.1M Tris-HCl	Resolution 2.10 Å R-free 0.221
8F0A Client-bound structure of a DegP trimer within a 12mer cage Deposited 2022-11-02	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430 Chain b 404–430（27 aa） Fragment：UNP residues 404-430 Chain c 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 2.60 Å
8F0U Structure of a 12mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-04	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 36 PDB declaration: 36-meric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.10 Å
8F0U Structure of a 12mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-04	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.10 Å
8F0U Structure of a 12mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-04	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.10 Å
8F1T Structure of an 18mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-06	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 54 PDB declaration: 54-meric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430 Chain b 404–430（27 aa） Fragment：UNP residues 404-430 Chain c 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 12.10 Å
8F1T Structure of an 18mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-06	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430 Chain b 404–430（27 aa） Fragment：UNP residues 404-430 Chain c 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 12.10 Å
8F1T Structure of an 18mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-06	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430 Chain b 404–430（27 aa） Fragment：UNP residues 404-430 Chain c 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 12.10 Å
8F1U Structure of a 24mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-06	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 72 PDB declaration: 72-meric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430 Chain b 404–430（27 aa） Fragment：UNP residues 404-430 Chain c 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 13.80 Å
8F1U Structure of a 24mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-06	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430 Chain b 404–430（27 aa） Fragment：UNP residues 404-430 Chain c 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 13.80 Å
8F1U Structure of a 24mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-06	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430 Chain b 404–430（27 aa） Fragment：UNP residues 404-430 Chain c 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 13.80 Å
8F21 Structure of a 30mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-06	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 90 PDB declaration: 90-meric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430 Chain b 404–430（27 aa） Fragment：UNP residues 404-430 Chain c 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 14.10 Å
8F21 Structure of a 30mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-06	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430 Chain b 404–430（27 aa） Fragment：UNP residues 404-430 Chain c 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 14.10 Å
8F21 Structure of a 30mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-06	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430 Chain b 404–430（27 aa） Fragment：UNP residues 404-430 Chain c 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 14.10 Å
8F26 Structure of a 60mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-07	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 180 PDB declaration: 180-meric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 9.70 Å
8F26 Structure of a 60mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-07	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 9.70 Å
8F26 Structure of a 60mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-07	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 15 PDB declaration: pentadecameric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 9.70 Å
8F26 Structure of a 60mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-07	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 18 PDB declaration: octadecameric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 9.70 Å
8F26 Structure of a 60mer DegP cage bound to the client protein hTRF1 Deposited 2022-11-07	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain a 404–430（27 aa） Fragment：UNP residues 404-430	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 9.70 Å
8OX1 Structure of TRF1core in complex with telomeric nucleosome Deposited 2023-04-28	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 10 PDB declaration: dodecameric	Chain L 1–439（439 aa） Chain M 1–439（439 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8；25 mM HEPES-KOH pH 8.0, 150 mM KCl, 1 mM MgCl2, 1% glycerol, 0.01% Igepal CA-630, 1 mM DTT cryo-EM vitrification conditions Cryogen ETHANE；Blot Force: -15 Blot Time: 2.5 s	Resolution 2.70 Å
8W8G Crystal structure of human TRF1 with PinX1 Deposited 2023-09-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 58–269（212 aa） Chain B 58–269（212 aa）	Not recorded	HEZ HEXANE-1,6-DIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；289 K；0.05 M HEPES, 4% PEG2000 MME, 3% 1.6-hexanediol and 0.04 M NaCl	Resolution 2.70 Å R-free 0.263
8W8G Crystal structure of human TRF1 with PinX1 Deposited 2023-09-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 58–269（212 aa） Chain D 58–269（212 aa）	Not recorded	HEZ HEXANE-1,6-DIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；289 K；0.05 M HEPES, 4% PEG2000 MME, 3% 1.6-hexanediol and 0.04 M NaCl	Resolution 2.70 Å R-free 0.263
9HCL Crystal structure of human TRF1 TRFH domain in complex with compound 12 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	TWC 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one × 6 DMS DIMETHYL SULFOXIDE × 10 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 1.87 Å R-free 0.220
9HCM Crystal structure of human TRF1 TRFH domain in complex with compound 45 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	LX7 1-[4-(trifluoromethyloxy)phenyl]thiourea × 2 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 2.32 Å R-free 0.314
9HCN Crystal structure of human TRF1 TRFH domain in complex with compound 46 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	UVA N-methyl-2-(methylsulfonyl)aniline × 2 EDO 1,2-ETHANEDIOL × 6 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 1.93 Å R-free 0.224
9HCP Crystal structure of human TRF1 TRFH domain in complex with compound 15 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	LL0 2-(difluoromethoxy)benzene-1-sulfonamide × 2 EDO 1,2-ETHANEDIOL × 8 1PE PENTAETHYLENE GLYCOL × 4 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 1.70 Å R-free 0.240
9HCQ Crystal structure of human TRF1 TRFH domain in complex with compound 47 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 6 JHJ N-(4-methoxyphenyl)-N'-pyridin-4-ylurea × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 1.96 Å R-free 0.245
9HCR Crystal structure of human TRF1 TRFH domain in complex with compound 48 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	W1P 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one × 2 EDO 1,2-ETHANEDIOL × 6 DMS DIMETHYL SULFOXIDE × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 1.93 Å R-free 0.217
9HCS Crystal structure of human TRF1 TRFH domain in complex with compound 49 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	JGA N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea × 2 EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 2.20 Å R-free 0.242
9HCT Crystal structure of human TRF1 TRFH domain in complex with compound 50 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	B0V 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide × 2 EDO 1,2-ETHANEDIOL × 10 CA CALCIUM ION × 2 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 1.70 Å R-free 0.240
9HCU Crystal structure of human TRF1 TRFH domain in complex with compound 51 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	ZU7 N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide × 2 EDO 1,2-ETHANEDIOL × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 2.07 Å R-free 0.260
9HCV Crystal structure of human TRF1 TRFH domain in complex with compound 16 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 2 A1ITZ 5-cyclobutyl-3-pyridin-2-yl-1,2,4-oxadiazole × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 2.08 Å R-free 0.268
9HCW Crystal structure of human TRF1 TRFH domain in complex with compound 52 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	A1IT0 1-(methylsulfonylamino)cyclohexane-1-carboxylic acid × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 2.08 Å R-free 0.255
9HCX Crystal structure of human TRF1 TRFH domain in complex with compound 53 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	W0S 1-(3,4,5-trimethoxyphenyl)methanamine × 2 EDO 1,2-ETHANEDIOL × 10 DMS DIMETHYL SULFOXIDE × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 1.69 Å R-free 0.247
9HCY Crystal structure of human TRF1 TRFH domain in complex with compound 54 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	A9E 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone × 2 EDO 1,2-ETHANEDIOL × 8 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 1.93 Å R-free 0.223
9HCZ Crystal structure of human TRF1 TRFH domain in complex with compound 6 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	TT3 2-(3-fluorophenoxy)-N,N-dimethylacetamide × 2 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 1.55 Å R-free 0.214
9HD0 Crystal structure of human TRF1 TRFH domain in complex with compound 55 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	A9E 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone × 2 EDO 1,2-ETHANEDIOL × 8 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；SNAQVQVGAPEEEEEEEEDAGLVAEAEAVAAGWMLDFLCLSLCRAFRDGRSEDFRRTRNSAEAIIHGLSSLTACQLRTIYICQFLTRIAAGKTLDAQFENDERITPLESALMIWGSIEKEHDKLHEEIQNLIKIQAIAVCMENGNFKEAEEVFERIFGDPNSHMPFKSKLLMIISQKDTFHSFFQHFSYNHMMEKIKSYVNYVLSEKSSTFLMKAAAKVVESKR	Resolution 1.93 Å R-free 0.223
9HD1 Crystal structure of human TRF1 TRFH domain in complex with compound 59 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	XH1 N-propan-2-ylurea × 2 EDO 1,2-ETHANEDIOL × 6 1PE PENTAETHYLENE GLYCOL × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 1.73 Å R-free 0.227
9HD2 Crystal structure of human TRF1 TRFH domain in complex with compound 40 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	A1ITY 4-[(3,5-dimethoxyphenyl)methoxy]naphthalene-1-sulfonic acid × 2 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution	Resolution 2.07 Å R-free 0.268
9HD3 Crystal structure of human TRF1 TRFH domain in complex with compound 27 Deposited 2024-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	A1ITX 4-ethoxynaphthalene-1-sulfonic acid × 2 EDO 1,2-ETHANEDIOL × 4 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 2.19 Å R-free 0.274
9HD9 Crystal structure of human TRF1 TRFH domain in complex with compound 1 Deposited 2024-11-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	UUP N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 1.87 Å R-free 0.266
9HDA Crystal structure of human TRF1 TRFH domain in complex with compound 58 Deposited 2024-11-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	PYZ 4-IODOPYRAZOLE × 4 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 2.10 Å R-free 0.283
9HF4 Crystal structure of human TRF1 TRFH domain in complex with compound 32 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	A1IUC 4-phenylmethoxynaphthalene-1-sulfonic acid × 2 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 2 CA CALCIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 2.17 Å R-free 0.258
9HF6 Crystal structure of human TRF1 TRFH domain in complex with compound 1 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 UUP N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide × 2 DMS DIMETHYL SULFOXIDE × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.23 Å R-free 0.248
9HF7 Crystal structure of human TRF1 TRFH domain in complex with compound 3 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 JFP N-(4-methyl-1,3-thiazol-2-yl)propanamide × 2 DMS DIMETHYL SULFOXIDE × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.38 Å R-free 0.255
9HF8 Crystal structure of human TRF1 TRFH domain in complex with compound 4 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 T9Q N-Benzyl-2-methoxyacetamide × 2 DMS DIMETHYL SULFOXIDE × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.19 Å R-free 0.255
9HF9 Crystal structure of human TRF1 TRFH domain in complex with compound 5 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	NZ1 5-methoxy-1,3-benzothiazol-2-amine × 4 GOL GLYCEROL × 8 DMS DIMETHYL SULFOXIDE × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 1.90 Å R-free 0.228
9HFA Crystal structure of human TRF1 TRFH domain in complex with compound 6 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	TT3 2-(3-fluorophenoxy)-N,N-dimethylacetamide × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.05 Å R-free 0.246
9HFB Crystal structure of human TRF1 TRFH domain in complex with compound 7 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 JP4 [2-(morpholin-4-yl)phenyl]methanol × 2 DMS DIMETHYL SULFOXIDE × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.29 Å R-free 0.265
9HFC Crystal structure of human TRF1 TRFH domain in complex with compound 8 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 WHM 2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione × 2 DMS DIMETHYL SULFOXIDE × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.17 Å R-free 0.243
9HFD Crystal structure of human TRF1 TRFH domain in complex with compound 9 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 VW4 (2S)-2-phenylpropane-1-sulfonamide × 2 DMS DIMETHYL SULFOXIDE × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.15 Å R-free 0.245
9HFE Crystal structure of human TRF1 TRFH domain in complex with compound 10 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	PK4 2-fluoro-N,3-dimethylbenzene-1-sulfonamide × 4 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.04 Å R-free 0.247
9HFF Crystal structure of human TRF1 TRFH domain in complex with compound 11 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 A1IUE (2~{S})-2-[(5-chloranylpyrimidin-2-yl)-methyl-amino]propan-1-ol × 2 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.06 Å R-free 0.261
9HFG Crystal structure of human TRF1 TRFH domain in complex with compound 14 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 A1A34 2-methoxy-N-[(4-methylphenyl)methyl]acetamide × 2 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.02 Å R-free 0.253
9HFH Crystal structure of human TRF1 TRFH domain in complex with compound 16 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	A1ITZ 5-cyclobutyl-3-pyridin-2-yl-1,2,4-oxadiazole × 4 DMS DIMETHYL SULFOXIDE × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.12 Å R-free 0.263
9HFI Crystal structure of human TRF1 TRFH domain in complex with compound 17 Deposited 2024-11-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 A1BGH (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine × 2 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.44 Å R-free 0.276
9HHK Crystal structure of human TRF1 TRFH domain in complex with compound 2 Deposited 2024-11-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 A1IU1 ~{N}-(furan-2-ylmethyl)-2-methyl-furan-3-carboxamide × 2 DMS DIMETHYL SULFOXIDE × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.23 Å R-free 0.246
9HLP Crystal structure of human TRF1 TRFH domain in complex with compound 18 Deposited 2024-12-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 A1IV7 1-piperidin-4-ylindole × 2 DMS DIMETHYL SULFOXIDE × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.24 Å R-free 0.255
9HLQ Crystal structure of human TRF1 TRFH domain in complex with compound 57 Deposited 2024-12-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	HHQ 4-iodanyl-3~{H}-pyridin-2-one × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 50 mM CaCl2 and 35-45 % PEG 200, against 35 microliter of crystallisation solution.	Resolution 2.50 Å R-free 0.297
9HLR Crystal structure of human TRF1 TRFH domain in complex with compound 15 Deposited 2024-12-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 LL0 2-(difluoromethoxy)benzene-1-sulfonamide × 2 DMS DIMETHYL SULFOXIDE × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.48 Å R-free 0.269
9HLT Crystal structure of human TRF1 TRFH domain in complex with compound 13 Deposited 2024-12-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	GOL GLYCEROL × 2 UJK 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid × 4 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.16 Å R-free 0.261
9HLU Crystal structure of human TRF1 TRFH domain in complex with compound 19 Deposited 2024-12-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 48–268（221 aa）	Not recorded	UUG (4-bromo-2-methoxyphenyl)methanol × 4 DMS DIMETHYL SULFOXIDE × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291 K；150 nanoliter of TRF1 TRFH at 28.6 mg/mL plus 150 nanoliter of a crystallisation solution consisting of 0.1 M MES pH 6, 1-12 mM Mg(OAc)2, 1% PEG8000, and 10-15% glycerol, against 35 microliter of crystallisation solution.	Resolution 2.23 Å R-free 0.279

57 other PDB entries and 73 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	TERF1_HUMAN
Isoform	P54274-2
PDB entities	2
Chains and sequence ranges	Author chain A； PDBConstruct 2–205； UniProt 62–265 Author chain B； PDBConstruct 2–205； UniProt 62–265

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	5wir
Deposition date deposition_date	2017-07-20
Structure title title	Structure of the TRF1-TERB1 interface
Keywords keywords	meiosis, telomere, CDK phosphorylation, DNA BINDING PROTEIN; DNA BINDING PROTEIN
Experimental Method method	X-RAY DIFFRACTION

▼

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	27.60 Å
Radius of gyration Rg (electron density) rg_electron	27.36 Å
Forward intensity I(0) i0	39593300.00
Molecular weight molecular_weight	49113.0 kDa
Excluded volume excluded_volume	61554 Å³
Envelope volume envelope_volume	76103 Å³
Hydration-shell volume shell_volume	24592 Å³
Envelope diameter envelope_diameter	94.4 Å
Shell Rg shell_rg	32.72 Å
Envelope Rg envelope_rg	27.40 Å
Shape Rg shape_rg	27.40 Å
Total Rg total_rg	27.79 Å
Total atoms total_atoms	3446
Residues n_residues	429
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

▼

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	90.4 Å
Rg (real space) rg_real	27.81 Å
Rg uncertainty (real space) rg_real_error	0.63 Å
I(0) (real space) i0_real	3.9590e+07
I(0) uncertainty (real space) i0_real_error	5.5910e+05
Rg (reciprocal space) rg_reciprocal	27.75 Å
I(0) (reciprocal space) i0_reciprocal	39590000.0000
Solution quality estimate total_estimate	0.8565
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	25.4 Å
Skewness Skewness skewness	0.477
Kurtosis Kurtosis kurtosis	-0.399
Angular range angular_range	— – 0.2850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	11010000.0000
Real-space data points n_real_points	58
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.847; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.865; Smooth: 0.723

▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	TERB1-TBM
Molecular weight formula_weight	1858.3 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	D,C
Atom count atom_count	3778

SKKILLTPRRRQRLS

来源 Source

来源生物 organism	Homo sapiens
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Telomeric repeat-binding factor 1
Molecular weight formula_weight	23413.8 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,A

SEDAGLVAEAEAVAAGWMLDFLCLSLCRAFRDGRSEDFRRTRNSAEAIIHGLSSLTACQLRTIYICQFLTRIAAGKTLDAQFENDERITPLESALMIWGSIEKEHDKLHEEIQNLIKIQAIAVCMENGNFKEAEEVFERIFGDPNSHMPFKSKLLMIISQKDTFHSFFQHFSYNHMMEKIKSYVNYVLSEKSSTFLMKAAAKVVE

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	332

▼

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	5wirA00
Class class	1 — Mainly Alpha
Architecture architecture	25 — Alpha Horseshoe
Topology topology	40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
Homologous superfamily homologous superfamily	210 — Telomere repeat-binding factor, dimerisation domain

Domain ID domain_id	5wirB00
Class class	1 — Mainly Alpha
Architecture architecture	25 — Alpha Horseshoe
Topology topology	40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
Homologous superfamily homologous superfamily	210 — Telomere repeat-binding factor, dimerisation domain

▶

8. Citations (1)

▶

Unit-cell length a length_a	161.720 Å
Unit-cell length b length_b	161.720 Å
Unit-cell length c length_c	45.170 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	12

Space group space_group	P 64
Space-group number int_tables_number	172
Crystal system crystal_system	—

Resolution resolution	2.100 Å
Low-resolution limit resolution_low	46.685 Å
R factor r_factor	0.1806
R_work r_work	0.1790
R_free r_free	0.2104

fit	/app/data/saxs_computation/wi/5wir/5wir.fit
pddf	/app/data/pr_computation/wi/5wir/5wir.pr.out
profile	/app/data/saxs_computation/wi/5wir/5wir.dat

Structure of the TRF1-TERB1 interface

1. Protein Identity and Related Structures Protein Identity & Related Structures

Telomeric repeat-binding factor 1

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 water

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)