ChemInform Abstract: Crystal Structure of Thiamin Thiazolone: A Possible Transition-State Analogue with an Intramolecular N-H···O Hydrogen Bond in the V Form

ChemInform ◽  
1987 ◽  
Vol 18 (12) ◽  
Author(s):  
W. SHIN ◽  
Y. C. KIM
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Transition State ◽  
Transition State Analogue

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

Atomic Dissection of the Hydrogen Bond Network for Transition-State Analogue Binding to Purine Nucleoside Phosphorylase†

Biochemistry ◽  
2002 ◽  
Vol 41 (49) ◽  
pp. 14489-14498 ◽  
Author(s):  
Greg A. Kicska ◽  
Peter C. Tyler ◽  
Gary B. Evans ◽  
Richard H. Furneaux ◽  
Wuxian Shi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Transition State ◽  
Purine Nucleoside Phosphorylase ◽  
Purine Nucleoside ◽  
Hydrogen Bond Network ◽  
Nucleoside Phosphorylase ◽  
Transition State Analogue ◽  
Bond Network

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.

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

Science ◽  
1990 ◽  
Vol 250 (4987) ◽  
pp. 1563-1566 ◽  
Author(s):  
D. Scott ◽  
Z. Otwinowski ◽  
M. Gelb ◽  
P. Sigler
Keyword(s):  
Crystal Structure ◽  
Transition State ◽  
Phospholipase A2 ◽  
Bee Venom ◽  
Transition State Analogue
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