4w9p

From Proteopedia

The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one

Structural highlights

4w9p is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 1.5Å
Ligands:	3JR, ACT
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

FKBP5_HUMAN Interacts with functionally mature heterooligomeric progesterone receptor complexes along with HSP90 and TEBP.

Publication Abstract from PubMed

To create highly efficient inhibitors for FK506-binding proteins, a new asymmetric synthesis for pro-(S)-C5 -branched [4.3.1] aza-amide bicycles was developed. The key step of the synthesis is an HF-driven N-acyliminium cyclization. Functionalization of the C5 moiety resulted in novel protein contacts with the psychiatric risk factor FKBP51, which led to a more than 280-fold enhancement in affinity. The most potent ligands facilitated the differentiation of N2a neuroblastoma cells with low nanomolar potency.

Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).,Pomplun S, Wang Y, Kirschner A, Kozany C, Bracher A, Hausch F Angew Chem Int Ed Engl. 2014 Nov 20. doi: 10.1002/anie.201408776. PMID:25412894^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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Citations

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References

↑ Pomplun S, Wang Y, Kirschner A, Kozany C, Bracher A, Hausch F. Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs). Angew Chem Int Ed Engl. 2014 Nov 20. doi: 10.1002/anie.201408776. PMID:25412894 doi:http://dx.doi.org/10.1002/anie.201408776

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 See Also
5 References

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PDB ID 4w9p

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4w9p

From Proteopedia

The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

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