Crystal structure of Enterobacter cloacae 908R class C ?-lactamase bound to iodo-acetamido-phenyl boronic acid, a transition-state analogue

2003 ◽  
Vol 60 (8) ◽  
pp. 1764-1773 ◽  
Author(s):  
J. Wouters ◽  
E. Fonz� ◽  
M. Vermeire ◽  
J.-M. Fr�re ◽  
P. Charlier
Keyword(s):  
Crystal Structure ◽  
Transition State ◽  
Boronic Acid ◽  
Enterobacter Cloacae ◽  
Transition State Analogue ◽  
Phenyl Boronic Acid ◽  
Class C

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

scholarly journals Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors

Biomolecules ◽  
2020 ◽  
Vol 10 (5) ◽  
pp. 671
Author(s):  
Scott T. Lefurgy ◽  
Emilia Caselli ◽  
Magdalena A. Taracila ◽  
Vladimir N. Malashkevich ◽  
Beena Biju ◽  
...  
Keyword(s):  
Transition State ◽  
Boronic Acid ◽  
Bacterial Infections ◽  
Conformational Flexibility ◽  
Affinity Binding ◽  
Transition State Analog ◽  
Transition State Analogs ◽  
Structure Activity ◽  
Ic50 Value ◽  
Class C

Boronic acid transition-state analog inhibitors (BATSIs) are partners with β-lactam antibiotics for the treatment of complex bacterial infections. Herein, microbiological, biochemical, and structural findings on four BATSIs with the FOX-4 cephamycinase, a class C β-lactamase that rapidly hydrolyzes cefoxitin, are revealed. FOX-4 is an extended-spectrum class C cephalosporinase that demonstrates conformational flexibility when complexed with certain ligands. Like other β-lactamases of this class, studies on FOX-4 reveal important insights into structure–activity relationships. We show that SM23, a BATSI, shows both remarkable flexibility and affinity, binding similarly to other β-lactamases, yet retaining an IC50 value < 0.1 μM. Our analyses open up new opportunities for the design of novel transition-state analogs of class C enzymes.

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

Crystal Structure of a Complex between theActinomaduraR39dd-Peptidase and a Peptidoglycan-mimetic Boronate Inhibitor: Interpretation of a Transition State Analogue in Terms of Catalytic Mechanism

Biochemistry ◽  
2010 ◽  
Vol 49 (30) ◽  
pp. 6411-6419 ◽  
Author(s):  
Liudmila Dzhekieva ◽  
Mathieu Rocaboy ◽  
Frédéric Kerff ◽  
Paulette Charlier ◽  
Eric Sauvage ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Transition State ◽  
Catalytic Mechanism ◽  
Transition State Analogue
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