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Structure paper

TitleRequirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 46, Page 5184-5195, Year 2003
Publish dateJun 15, 2003 (structure data deposition date)
AuthorsLange, G. / Lesuisse, D. / Deprez, P. / Schoot, B. / Loenze, P. / Benard, D. / Marquette, J.P. / Broto, P. / Sarubbi, E. / Mandine, E.
External linksJ. Med. Chem. / PubMed:14613321
MethodsX-ray diffraction
Resolution1.5 - 2.25 Å
Structure data

PDB-1o41:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78300.
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-1o42:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU81843.
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-1o43:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82129.
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-1o44:
Crystal structure of sh2 in complex with ru85052
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-1o45:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU84687.
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-1o46:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU90395.
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-1o47:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82209.
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-1o48:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85053.
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-1o49:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85493.
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-1o4a:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82197.
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-1o4b:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU83876.
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-1o4c:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PHOSPHATE.
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-1o4d:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78262.
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-1o4e:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78299.
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-1o4f:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79073.
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-1o4g:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH DPI59.
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-1o4h:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79072.
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-1o4i:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PAS219.
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-1o4j:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH ISO24.
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-1o4k:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PASBN.
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-1o4l:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH FRAGMENT2.
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-1o4m:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH MALONICACID.
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-1o4n:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH OXALIC ACID.
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-1o4o:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PHENYLPHOSPHATE.
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-1o4p:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78791.
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-1o4q:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79256.
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-1o4r:
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78783.
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-300:
2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE

ChemComp-HOH:
WATER / Water

ChemComp-843:
N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE

ChemComp-821:
[4-((1Z)-2-(ACETYLAMINO)-3-{[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]AMINO}-3-OXOPROP-1-ENYL)-2-FORMYLPHENYL]ACET

ChemComp-852:
2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID

ChemComp-687:
N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE

ChemComp-903:
2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-METHOXYCARBONYL-PHENYL}-2-FLUORO-MALONIC ACID

ChemComp-822:
N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE

ChemComp-853:
5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID

ChemComp-493:
{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID

ChemComp-197:
4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-FORMYL-BENZOIC ACID

ChemComp-876:
N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE

ChemComp-PO4:
PHOSPHATE ION / Phosphate

ChemComp-262:
2-FORMYLPHENYL DIHYDROGEN PHOSPHATE

ChemComp-299:
2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE

ChemComp-790:
1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE

ChemComp-I59:
HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID

ChemComp-772:
2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE

ChemComp-219:
cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate

ChemComp-IS2:
[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID

ChemComp-PSN:
BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE

ChemComp-CIT:
CITRIC ACID / Citric acid

ChemComp-MLA:
MALONIC ACID / Malonic acid

ChemComp-OXD:
OXALIC ACID / Oxalic acid

ChemComp-HPS:
PHENYL DIHYDROGEN PHOSPHATE

ChemComp-791:
2-PHENYLMALONIC ACID

ChemComp-256:
PHENYL(SULFO)ACETIC ACID

ChemComp-787:
(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / SH2 DOMAIN FRAGMENT APPROACH

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