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Crystal structure of BACE complex with BMC015

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Protein Data Bank Japan2024-11-06 更新2026-03-21 收录
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Crystal structure of BACE complex with BMC015 Descriptor: (4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, 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 (2.3 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
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