The cis-binding of inosine 5′-monophosphate and guanosine 5′-monophosphate to cobalt(III) in 1:1 metal-nucleotide complexes; X-ray crystal structures of ternary complexes with ethylenediamine

Author(s):  
M. Damodara Poojary ◽  
Hattikudur Manohar
2021 ◽  
Author(s):  
David Margulies ◽  
Javeed Ahmad ◽  
Jiansheng Jiang ◽  
Lisa Boyd ◽  
Allison Zeher ◽  
...  

Abstract The worldwide spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and emergence of new variants demands understanding the structural basis of the interaction of antibodies with the SARS-CoV-2 receptor-binding domain (RBD). Here we report five X-ray crystal structures of sybodies (synthetic nanobodies) including binary and ternary complexes of Sb16–RBD, Sb45–RBD, Sb14–RBD–Sb68, and Sb45–RBD–Sb68; and Sb16 unliganded. These reveal that Sb14, Sb16, and Sb45 bind the RBD at the ACE2 interface and that the Sb16 interaction is accompanied by a large CDR2 shift. In contrast, Sb68 interacts at the periphery of the interface. We also determined cryo-EM structures of Sb45 bound to spike (S). Superposition of the X-ray structures of sybodies onto the trimeric S protein cryo-EM map indicates some may bind both "up" and "down" configurations, but others may not. Sensitivity of sybody binding to several recently identified RBD mutants is consistent with these structures.


1995 ◽  
Vol 50 (2) ◽  
pp. 229-238 ◽  
Author(s):  
Dagmar Henschel ◽  
Armand Blaschette ◽  
Peter G. Jones

The ternary complexes 18C6 · 4H2O · 2HN(SO2Ph)2 (3) and 18C6 · 2H2O · 2HN(SO2C6H4⁻4-F)2 (4) were obtained by co-crystallization of 18-crown-6 (18C6) with the appropriate di(arenesulfonyl)amine from aqueous solutions and characterized by low-temperature X-ray diffraction. The crystal structures consist of monomeric formula units displaying crystallographic Ci, symmetry for 3 (monoclinic, space group C2/c) and approximate Ci symmetry for 4 (monoclinic, space group P21/c). In 3, hydrogen-bonded water dimers H2O ··· H - OʹH (H ··· O 182 pm) act as links between the two di(benzenesulfonyl)amine molecules and the crown ring. Each dimer accepts an N - H ··· Oʹ bond (H ··· Oʹ 194 pm) and is attached by its remaining protons to a set of three alternate crown oxygen atoms Oc (OʹH ··· Oc 202, OH ··· Oc 207 and 208 pm). The overall topological features of 3 strongly resemble those of the known supramolecule 18C6 ­· 2MeOH · 2HN(SO2Ph)2. In 4, each amine molecule is N - H ··· O bonded to a water monomer (H ··· O 184 and 187 pm) that is connected to two Oc atoms of the crown (OH ··· Oc 202 - 210 pm). The crown rings of both complexes adopt the frequently observed pseudo D3d symmetry. In the crystal of the pure compound HN(SO2C6H4⁻4-F)2 (5; monoclinic, space group C2/c), the molecules are associated into chains in the z direction through a relatively weak N - H ··· Oʹ bond (H ··· Oʹ 215 pm). The conformations of the HN(SO2R)2 entities in 3, 4, 5 and some related solids are compared and discussed.


2001 ◽  
Vol 44 (18) ◽  
pp. 2928-2932 ◽  
Author(s):  
Marc Whitlow ◽  
Andrew J. Howard ◽  
David Stewart ◽  
Karl D. Hardman ◽  
Joseph H. Chan ◽  
...  

Author(s):  
A. Zangvil ◽  
L.J. Gauckler ◽  
G. Schneider ◽  
M. Rühle

The use of high temperature special ceramics which are usually complex materials based on oxides, nitrides, carbides and borides of silicon and aluminum, is critically dependent on their thermomechanical and other physical properties. The investigations of the phase diagrams, crystal structures and microstructural features are essential for better understanding of the macro-properties. Phase diagrams and crystal structures have been studied mainly by X-ray diffraction (XRD). Transmission electron microscopy (TEM) has contributed to this field to a very limited extent; it has been used more extensively in the study of microstructure, phase transformations and lattice defects. Often only TEM can give solutions to numerous problems in the above fields, since the various phases exist in extremely fine grains and subgrain structures; single crystals of appreciable size are often not available. Examples with some of our experimental results from two multicomponent systems are presented here. The standard ion thinning technique was used for the preparation of thin foil samples, which were then investigated with JEOL 200A and Siemens ELMISKOP 102 (for the lattice resolution work) electron microscopes.


1999 ◽  
Vol 82 (08) ◽  
pp. 271-276 ◽  
Author(s):  
Glen Spraggon ◽  
Stephen Everse ◽  
Russell Doolittle

IntroductionAfter a long period of anticipation,1 the last two years have witnessed the first high-resolution x-ray structures of fragments from fibrinogen and fibrin.2-7 The results confirmed many aspects of fibrinogen structure and function that had previously been inferred from electron microscopy and biochemistry and revealed some unexpected features. Several matters have remained stubbornly unsettled, however, and much more work remains to be done. Here, we review several of the most significant findings that have accompanied the new x-ray structures and discuss some of the problems of the fibrinogen-fibrin conversion that remain unresolved. * Abbreviations: GPR—Gly-Pro-Arg-derivatives; GPRPam—Gly-Pro-Arg-Pro-amide; GHRPam—Gly-His-Arg-Pro-amide


2019 ◽  
Author(s):  
Yunyang Zhang ◽  
Janice Mui ◽  
Thimali Arumaperuma ◽  
James P. Lingford ◽  
ETHAN GODDARD-BORGER ◽  
...  

<p>The sulfolipid sulfoquinovosyl diacylglycerol (SQDG) and its headgroup, the sulfosugar sulfoquinovose (SQ), are estimated to harbour up to half of all organosulfur in the biosphere. SQ is liberated from SQDG and related glycosides by the action of sulfoquinovosidases (SQases). We report a 10-step synthesis of SQDG that we apply to the preparation of saturated and unsaturated lipoforms. We also report an expeditious synthesis of SQ and (<sup>13</sup>C<sub>6</sub>)SQ, and X-ray crystal structures of sodium and potassium salts of SQ. Finally, we report the synthesis of a fluorogenic SQase substrate, methylumbelliferyl a-D-sulfoquinovoside, and examination of its cleavage kinetics by two recombinant SQases.</p>


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