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Structure paper

TitleReversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 143, Page 8454-8464, Year 2021
Publish dateOct 14, 2020 (structure data deposition date)
AuthorsCossar, P.J. / Wolter, M. / van Dijck, L. / Valenti, D. / Levy, L.M. / Ottmann, C. / Brunsveld, L.
External linksJ. Am. Chem. Soc. / PubMed:34047554
MethodsX-ray diffraction
Resolution1.081 - 1.9 Å
Structure data

PDB-7aog:
14-3-3 sigma in complex with Pin1 binding site pS72
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7axn:
14-3-3 sigma in complex with Pin1 binding site pS72 and covalently bound TCF521-026
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-7ayf:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-110
Method: X-RAY DIFFRACTION / Resolution: 1.752 Å

PDB-7az1:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1013
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

PDB-7az2:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1014
Method: X-RAY DIFFRACTION / Resolution: 1.081 Å

PDB-7bdp:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1017
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7bdt:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1009
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7bdy:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068B
Method: X-RAY DIFFRACTION / Resolution: 1.801 Å

PDB-7bfw:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068A
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7bg3:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2046
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-7bgq:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1019
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7bgr:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1016
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7bgv:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1012
Method: X-RAY DIFFRACTION / Resolution: 1.683 Å

PDB-7bgw:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1011
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7nif:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-011
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-7nig:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1008
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7nix:
14-3-3 sigma with AS160 binding site pT642
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7nj6:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1005
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-7nj8:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7nja:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1006
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7nqp:
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound LvD1009
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

PDB-7nrk:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7nrl:
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7nsv:
14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-S6B:
3-chloranyl-4-imidazol-1-yl-benzaldehyde

ChemComp-S9E:
6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde

ChemComp-SGH:
1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole

ChemComp-SFW:
1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole

ChemComp-TJB:
2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde

ChemComp-MG:
Unknown entry

ChemComp-TJ8:
2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

ChemComp-TJK:
2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde

ChemComp-TKH:
[4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol

ChemComp-TKK:
1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole

ChemComp-TL8:
2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde

ChemComp-TQK:
2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde

ChemComp-TLK:
3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde

ChemComp-TLQ:
4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde

ChemComp-NA:
Unknown entry

ChemComp-P5N:
1-(4-methylphenyl)imidazole

ChemComp-UFH:
2-bromanyl-4-imidazol-1-yl-benzaldehyde

ChemComp-NHE:
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID / pH buffer*YM

ChemComp-UG5:
4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde

ChemComp-JFS:
[4-(1H-benzimidazol-1-yl)phenyl]methanol

ChemComp-UG2:
[4-(2-phenylimidazol-1-yl)phenyl]methanol

ChemComp-UPQ:
4-(4-methylimidazol-1-yl)benzaldehyde

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-UPK:
2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol

ChemComp-GOL:
GLYCEROL

ChemComp-UQN:
1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole

Source
  • homo sapiens (human)
KeywordsPEPTIDE BINDING PROTEIN / 1433 / Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 / TBC1 domain family member 4 / peptide-protein complex / benzaldehyde / covalent fragment / p65 / imine formation

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