Protein Structure Prediction

Pro-apoptotic proteins with the BH3-binding groove occupied by BH3-only proteins

Model of Bak in complex with the BH3 domain of Noxa (Noxa and Bak complex or Noxa•Bak complex)

Model of Bak in complex with the BH3 domain of Bim (Bim and Bak complex or Bim•Bak complex)

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Botulinum neurotoxin serotype A endopeptidase in complex with a small-molecule inhibitor HAB

Models (released March 5, 2010)

HAB has a highly flexible functional group; the percentages of the top three most-populated conformations of HAB in Models 1, 2 and 3 are, respectively, 21 percent, 13 percent and 12 percent. Only 33 percent of the heavy atoms of HAB are provided in the released models. The full structure of HAB will be released upon manuscript acceptance. Read more about HAB.

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African malaria mosquito acetylcholinesterase

Model (released Dec. 12, 2009)

AP-AgAChE contains a free cysteine at the opening of the active-site gorge of an acetylcholinesterase of the African malaria mosquito and is paralogous to the acetylcholinesterase of Drosophila melanogaster; the inhibitor structure of AP-AgAChE will be released upon manuscript acceptance. Read more about African malaria mosquito acetylcholinesterase.

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