Ternary Complex Crystal Structures of Glycogen Phosphorylase with the Transition State Analogue Nojirimycin Tetrazole and Phosphate in the T and R States†,‡

Biochemistry ◽  
1996 ◽  
Vol 35 (23) ◽  
pp. 7341-7355 ◽  
Author(s):  
E. P. Mitchell ◽  
S. G. Withers ◽  
P. Ermert ◽  
A. T. Vasella ◽  
E. F. Garman ◽  
...  
Keyword(s):  
Transition State ◽  
Crystal Structures ◽  
Ternary Complex ◽  
Glycogen Phosphorylase ◽  
Transition State Analogue ◽  
Complex Crystal

Structure and Conformations of Gaba-Transaminase Inhibitors. II. Transition-State Analogs

1986 ◽  
Vol 39 (10) ◽  
pp. 1575 ◽  
Author(s):  
PR Andrews ◽  
V Cody ◽  
JM Gulbis ◽  
MN Iskander ◽  
AI Jeffrey ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Transition State ◽  
Crystal Structures ◽  
Gaba Transaminase ◽  
Preceding Article ◽  
Transition State Analogs ◽  
Calculated Energy ◽  
Transition State Analogue ◽  
Oxazine Ring ◽  
Transition State Analogue Inhibitors

Crystal structures of two benzoxazine derivatives designed as transition state analogue inhibitors of GABA-T were determined. These cyclic oxazine structures are shown to be more similar to the proposed transition state than the pyridoxal derivatives reported in the preceding article.1 Conformational analyses (non-bonded energy, MINDO/3, MNDO) show that the crystal structures are close to the calculated energy minima. The MNDO parameterization gives geometries close to the crystal structure, with the configuration at the nitrogen of the oxazine ring in particular being better reproduced than by the MINDO/3 method, which tends to prefer planar (sp2) nitrogen.

scholarly journals Thiophene-containing thiolato dimers, oxygen inserted Cu(II) complex, crystal structures, molecular docking and theoretical studies

2016 ◽  
Vol 69 (11-13) ◽  
pp. 2015-2023 ◽  
Author(s):  
Shaikh M. Mobin ◽  
Mohd. Tauqeer ◽  
Akbar Mohammad ◽  
Veenu Mishra ◽  
Pratibha Kumari
Keyword(s):  
Molecular Docking ◽  
Crystal Structures ◽  
Theoretical Studies ◽  
Complex Crystal

Crystal structure of cobra-venom phospholipase A2 in a complex with a transition-state analogue

Science ◽  
1990 ◽  
Vol 250 (4987) ◽  
pp. 1560-1563 ◽  
Author(s):  
S. White ◽  
D. Scott ◽  
Z. Otwinowski ◽  
M. Gelb ◽  
P. Sigler
Keyword(s):  
Crystal Structure ◽  
Transition State ◽  
Phospholipase A2 ◽  
Cobra Venom ◽  
Transition State Analogue

An Esterolytic Imprinted Polymer Prepared via a Silica-Supported Transition State Analogue

2004 ◽  
Vol 16 (14) ◽  
pp. 2745-2749 ◽  
Author(s):  
Kristian Lettau ◽  
Axel Warsinke ◽  
André Laschewsky ◽  
Klaus Mosbach ◽  
Ecevit Yilmaz ◽  
...  
Keyword(s):  
Transition State ◽  
Imprinted Polymer ◽  
Transition State Analogue
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