Linkers in the structural biology of protein–protein interactions
VP Reddy Chichili, V Kumar, J Sivaraman - Protein science, 2013 - Wiley Online Library
Linkers or spacers are short amino acid sequences created in nature to separate multiple
domains in a single protein. Most of them are rigid and function to prohibit unwanted …
domains in a single protein. Most of them are rigid and function to prohibit unwanted …
New insights about HERG blockade obtained from protein modeling, potential energy mapping, and docking studies
We created a homology model of the homo-tetrameric pore domain of HERG using the
crystal structure of the bacterial potassium channel, KvAP, as a template. We docked a set of …
crystal structure of the bacterial potassium channel, KvAP, as a template. We docked a set of …
Controlling the enantioselectivity of enzymes by directed evolution: practical and theoretical ramifications
MT Reetz - Proceedings of the National Academy of …, 2004 - National Acad Sciences
A fundamentally new approach to asymmetric catalysis in organic chemistry is described
based on the in vitro evolution of enantioselective enzymes. It comprises the appropriate …
based on the in vitro evolution of enantioselective enzymes. It comprises the appropriate …
Directed evolution of enantioselective enzymes as catalysts for organic synthesis
MT Reetz - Advances in catalysis, 2006 - Elsevier
This review constitutes a comprehensive and critical account of a fundamentally new
approach to asymmetric catalysis, namely, the exploitation of the methods of directed …
approach to asymmetric catalysis, namely, the exploitation of the methods of directed …
Learning from directed evolution: further lessons from theoretical investigations into cooperative mutations in lipase enantioselectivity
MT Reetz, M Puls, JD Carballeira, A Vogel… - …, 2007 - Wiley Online Library
An earlier experimental study, which involved the directed evolution of enantioselective
lipase variants from Pseudomonas aeruginosa as catalysts in the hydrolytic kinetic …
lipase variants from Pseudomonas aeruginosa as catalysts in the hydrolytic kinetic …
Learning from directed evolution: theoretical investigations into cooperative mutations in lipase enantioselectivity
Molecular modeling with classical force‐fields has been used to study the reactant complex
and the tetrahedral intermediate in lipase‐catalyzed ester hydrolysis in 20 enzyme/substrate …
and the tetrahedral intermediate in lipase‐catalyzed ester hydrolysis in 20 enzyme/substrate …
X-ray snapshot of HIV-1 protease in action: observation of tetrahedral intermediate and short ionic hydrogen bond SIHB with catalytic aspartate
Structural snapshots of each step in the catalytic cycle would help development of inhibitors
of human immunodeficiency virus type 1 protease (HIV-1 PR) as effective drugs against …
of human immunodeficiency virus type 1 protease (HIV-1 PR) as effective drugs against …
Small molecule regulation of protein conformation by binding in the flap of HIV protease
T Tiefenbrunn, S Forli, MM Baksh, MW Chang… - ACS chemical …, 2013 - ACS Publications
The fragment indole-6-carboxylic acid (1F1), previously identified as a flap site binder in a
fragment-based screen against HIV protease (PR), has been cocrystallized with pepstatin …
fragment-based screen against HIV protease (PR), has been cocrystallized with pepstatin …
Crystal structure of HIV-1 protease in situ product complex and observation of a low-barrier hydrogen bond between catalytic aspartates
A Das, V Prashar, S Mahale, L Serre… - Proceedings of the …, 2006 - National Acad Sciences
HIV-1 protease is an effective target for designing drugs against AIDS, and structural
information about the true transition state and the correct mechanism can provide important …
information about the true transition state and the correct mechanism can provide important …
Structure of the unbound form of HIV-1 subtype A protease: comparison with unbound forms of proteases from other HIV subtypes
AH Robbins, RM Coman… - … Section D: Biological …, 2010 - scripts.iucr.org
The crystal structure of the unbound form of HIV-1 subtype A protease (PR) has been
determined to 1.7 Å resolution and refined as a homodimer in the hexagonal space group …
determined to 1.7 Å resolution and refined as a homodimer in the hexagonal space group …