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The conformations of 17β-estradiol (E2) and 17α-estradiol as determined by solution NMR

The conformational structures of the hormone 17?-estradiol (E2) and the epimeric 17?-estradiol determined by solution NMR spectroscopy and restrained molecular dynamics calculations found a single low energy conformation.

出版机构:Elsevier Science

刊物名称:Tetrahedron Letters

出版时间:2010

ISSN:0040-4039

数据源:报刊文摘

Synthesis and structural study of 3t-isopropyl-2r,6c-diphenyl-4-oxopiperidinium nitrate and N-benzoyl-3t-isopropyl-2r,6c-diphenylpiperidin-4-one oxime

3t-Isopropyl-2r,6c-diphenyl-4-oxopiperidinium nitrate (2) and N-benzoyl-3t-isopropyl-2r,6c-diphenylpiperidin-4-one oxime (4) have been synthesized. The crystal structures of 2 and 4 have been determined. 1H NMR, 13C NMR, 1H?1H COSY and HSQC spectra also have been recorded for both the compounds.

出版机构:Elsevier Science

刊物名称:Journal of Molecular Structure

出版时间:2010

ISSN:0022-2860

数据源:报刊文摘

NMR and X-ray studies of isomeric 22,23-dihydroxy stigmastanes

omparative conformational study of steroidal side chain of (22R,23R)- and (22S,23S)-dihydroxy stigmastane derivatives was performed using single crystal X-ray diffraction and NMR spectroscopy. The preferred conformation in solution was shown to be close to that in the crystal.

出版机构:Elsevier Science

刊物名称:Journal of Molecular Structure

出版时间:2010

ISSN:0022-2860

数据源:报刊文摘

The Tubulin-Bound Structure of the Antimitotic Drug Tubulysin

No Abstract

出版机构:WILEY‐VCH Verlag

刊物名称:Angewandte Chemie International Edition

出版时间:2010

ISSN:1433-7851

数据源:报刊文摘

Insights into Intramolecular Trp and His Side-Chain Orientation and Stereospecific π Interactions Surrounding Metal Centers: An Investigation Using Protein Metal-Site Mimicry in Solution

Metal-binding scaffolds incorporating a Trp/His-paired epitope are instrumental in giving novel insights into the physicochemical basis of functional and mechanistic versatility conferred by the Trp-His interplay at a metal site.

出版机构:WILEY‐VCH Verlag

刊物名称:Chemistry - A European Journal

出版时间:2010

ISSN:0947-6539

数据源:报刊文摘

NMR-Based Protein Potentials We thank Hugh Nymeyer for helpful discussions and Stephan Grzesiek for providing the NMR data of GB1. This work was supported by the National Science Foundation (grant MCB-0918362).

No Abstract

出版机构:WILEY‐VCH Verlag

刊物名称:Angewandte Chemie International Edition

出版时间:2010

ISSN:1433-7851

数据源:报刊文摘

19F chemical shifts, coupling constants and conformational preferences in monosubstituted perfluoroparacyclophanes

In the process of studying the chemistry of perfluoro[2.2]paracyclophanes (PFPCs), a novel class of compounds, it became necessary to identify some disubstituted products.

出版机构:John Wiley & Sons, Ltd.

刊物名称:Magnetic Resonance in Chemistry

出版时间:2011

ISSN:0749-1581

数据源:报刊文摘

Conformation of the tridimensional structure of 1,2,3,4,6‐pentagalloyl‐β‐D‐glucopyranose (PGG) by 1H NMR, NOESY and theoretical study and membrane interaction in a simulated phospholipid bilayer: a first insight

1,2,3,4,6?Penta?O?galloyl???D?glucopyranose (PGG) is a polyphenolic compound found in substantial amounts in a number of medicinal herbs.

出版机构:John Wiley & Sons, Ltd.

刊物名称:Magnetic Resonance in Chemistry

出版时间:2011

ISSN:0749-1581

数据源:报刊文摘

Structural Investigation of the HIV‐1 Envelope Glycoprotein gp160 Cleavage Site 3: Role of Site‐Specific Mutations

Proteolytic processing of HIV gp160 to produce gp120 and gp41 is performed by PC enzymes. This process is a prerequisite for the virus infectivity, since both gp120 and gp41 participate in the virus HIV?1 entry mechanism.

出版机构:WILEY‐VCH Verlag

刊物名称:ChemBioChem

出版时间:2004

ISSN:1439-4227

数据源:报刊文摘

Ligands Turning Around in the Midst of Protein Conformers: The Origin of Ligand-Protein Mating. A NMR View

Protein-ligand binding is a puzzling process. Many theories have been devised since the pioneering key-and-lock hypothesis based on the idea that both the protein and the ligand have a rigid single conformation. Indeed, molecular motion is the essence of the universe.

出版机构:Bentham Science Publishers

刊物名称:Current Topics in Medicinal Chemistry

出版时间:2011

ISSN:1568-0266

数据源:报刊文摘