Convergent Chemical Synthesis and Crystal Structure of a 203 Amino Acid “Covalent Dimer” HIV-1 Protease Enzyme Molecule

2007 ◽  
Vol 119 (10) ◽  
pp. 1697-1700 ◽  
Author(s):  
Vladimir Yu. Torbeev ◽  
Stephen B. H. Kent
Keyword(s):  
Crystal Structure ◽  
Amino Acid ◽  
Chemical Synthesis ◽  
Enzyme Molecule ◽  
Synthesis And Crystal Structure ◽  
Protease Enzyme ◽  
Covalent Dimer ◽  
Hiv 1

First large scale chemical synthesis of the 72 amino acid HIV-1 nucleocapsid protein NCp7 in an active form

1991 ◽  
Vol 180 (2) ◽  
pp. 1010-1018 ◽  
Author(s):  
H. de Rocquigny ◽  
D. Ficheux ◽  
C. Gabus ◽  
M.-C. Fournié-Zaluski ◽  
J.-L. Darlix ◽  
...  
Keyword(s):  
Amino Acid ◽  
Chemical Synthesis ◽  
Nucleocapsid Protein ◽  
Large Scale ◽  
Active Form ◽  
Hiv 1

scholarly journals Crystal Structure and Structural Mechanism of a Novel Anti-Human Immunodeficiency Virus and d-Amino Acid-Containing Chemokine

2007 ◽  
Vol 81 (20) ◽  
pp. 11489-11498 ◽  
Author(s):  
Dongxiang Liu ◽  
Navid Madani ◽  
Ying Li ◽  
Rong Cao ◽  
Won-Tak Choi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Human Immunodeficiency Virus ◽  
Amino Acid ◽  
Structural Biology ◽  
Chemokine Receptors ◽  
Structural Basis ◽  
Receptor Selectivity ◽  
Wide Range ◽  
Immunodeficiency Virus ◽  
Hiv 1

ABSTRACT Chemokines and their receptors play important roles in normal physiological functions and the pathogeneses of a wide range of human diseases, including the entry of human immunodeficiency virus type 1 (HIV-1). However, the use of natural chemokines to probe receptor biology or to develop therapeutic drugs is limited by their lack of selectivity and the poor understanding of mechanisms in ligand-receptor recognition. We addressed these issues by combining chemical and structural biology in research into molecular recognition and inhibitor design. Specifically, the concepts of chemical biology were used to develop synthetically and modularly modified (SMM) chemokines that are unnatural and yet have properties improved over those of natural chemokines in terms of receptor selectivity, affinity, and the ability to explore receptor functions. This was followed by using structural biology to determine the structural basis for synthetically perturbed ligand-receptor selectivity. As a proof-of-principle for this combined chemical and structural-biology approach, we report a novel d-amino acid-containing SMM-chemokine designed based on the natural chemokine called viral macrophage inflammatory protein II (vMIP-II). The incorporation of unnatural d-amino acids enhanced the affinity of this molecule for CXCR4 but significantly diminished that for CCR5 or CCR2, thus yielding much more selective recognition of CXCR4 than wild-type vMIP-II. This d-amino acid-containing chemokine also showed more potent and specific inhibitory activity against HIV-1 entry via CXCR4 than natural chemokines. Furthermore, the high-resolution crystal structure of this d-amino acid-containing chemokine and a molecular-modeling study of its complex with CXCR4 provided the structure-based mechanism for the selective interaction between the ligand and chemokine receptors and the potent anti-HIV activity of d-amino acid-containing chemokines.

Synthesis and crystal structure of a palladium(II) complex with the amino acid L-citrulline

2015 ◽  
Vol 30 (4) ◽  
pp. 357-361 ◽  
Author(s):  
Bruno Z. Mascaliovas ◽  
Fernando R.G. Bergamini ◽  
Alexandre Cuin ◽  
Pedro P. Corbi
Keyword(s):  
Crystal Structure ◽  
Amino Acid ◽  
Real Space ◽  
Molecular Formula ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Cell Parameters ◽  
Square Planar ◽  
Ir Spectroscopic

Synthesis and structural characterization of a novel palladium Pd(II) complex with the amino acid L-citrulline (Cit, C6H13N3O3) are presented in this paper. Elemental analysis indicates a 1:2 metal/ligand molar composition for the complex, with the molecular formula PdC12H24N6O6. The compound was also characterized by infrared (IR) spectroscopic measurements and the crystal structure has been solved by powder X-ray diffraction data with simulated annealing strategy in real space. The Pd(II) complex crystallizes in the triclinic system with space group P-1 and cell parameters a = 4.6493(4) Å, b = 5.222(4) Å, c = 18.040(2) Å, α = 77.41(6)°, β = 94.72(7),° and γ = 101.45(7)°. The crystal structure confirms the presence of Pd(II) ions in a nearly square planar environment and the molecular formula with deprotonated citrulline as proposed by analytical and spectroscopic data.

Synthesis and Crystal Structure of N-[(15,4R)-2-Oxo-pinanyl]-β-alanine Methylester

1998 ◽  
Vol 53 (10) ◽  
pp. 1188-1190 ◽  
Author(s):  
Barbara Albert ◽  
Martin Jansen ◽  
Jörg Jakobi ◽  
Eberhard Steckhan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Amino Acid ◽  
Title Compound ◽  
Amino Acid Derivatives ◽  
Hydrogen Bonding Interaction ◽  
Electrochemical Preparation ◽  
Synthesis And Crystal Structure ◽  
Bonding Interaction ◽  
Amine Function

AbstractThe title compound, N-[(lS,4R)-2-oxo-pinanyl]-β-alanine methylester, is an important starting material for the electrochemical preparation of chiral amidoalkylation reagents in the synthesis of chiral β-substituted β-amino acid derivatives. The investigation of its crystal structure reveals an arrangement of the carbonyl group and the amine function, which is influenced by a hydrogen bonding interaction. This conformation makes the molecule especially appropriate for further synthetical modification

Facile Metal-Directed Synthesis and Crystal Structure of a New Amino Acid Ester, Methyl 3-[(2-Aminoethyl)amino]-2-[(2-aminoethyl)aminomethyl]propionate, as the Copper(II) Complex

1990 ◽  
Vol 43 (2) ◽  
pp. 399 ◽  
Author(s):  
PV Bernhardt ◽  
GA Lawrance ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Amino Acid ◽  
Acid Ester ◽  
Copper Ion ◽  
Diethyl Malonate ◽  
Amino Acid Ester ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Directed Synthesis

Condensation of bis (ethane-1,2-diamine) copper(II) perchlorate with formaldehyde and diethyl malonate in basic methanol generates the new amino acid ester complex (ethyl hydrogen bis [(2-aminoethyl ) aminomethyl ] malonate )copper(II) perchlorate, [Cu(1)] (ClO4)2. Base- catalysed ester hydrolysis and decarboxylation in methanol of[Cu(1)]2+ yields, with reesterification, (methyl 3-[(2-aminoethy )amino]-2-[(2-aminoethyl) aminomethyl ]propionate)copper(II) perchlorate, [Cu(2)](ClO4)2. This complex crystallizes in the monoclinic space group P21/c, a 12.763(6), b 9.176(2), c 16.32(2)Ǻ, β 112.49 (6)°, Z 4, R 0.054 for 2626 independent 'observed' reflections. The copper ion lies in a near plane of four nitrogens with perchlorates occupying axial sites.

Sign in / Sign up

Export Citation Format

Share Document