Crystal structure of BACE complex with BMC022
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Crystal structure of BACE complex with BMC022 Descriptor: (2R,4S)-N-butyl-4-[(5S,8S,10R)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1 Authors: Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. Deposit date: 2017-12-01 Release date: 2020-06-03 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.951 Å) Cite: D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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2017-12-01
