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-Structure paper
タイトル | Hallucinating symmetric protein assemblies. |
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ジャーナル・号・ページ | Science, Vol. 378, Issue 6615, Page 56-61, Year 2022 |
掲載日 | 2022年10月7日 |
![]() | B I M Wicky / L F Milles / A Courbet / R J Ragotte / J Dauparas / E Kinfu / S Tipps / R D Kibler / M Baek / F DiMaio / X Li / L Carter / A Kang / H Nguyen / A K Bera / D Baker / ![]() |
PubMed 要旨 | Deep learning generative approaches provide an opportunity to broadly explore protein structure space beyond the sequences and structures of natural proteins. Here, we use deep network hallucination ...Deep learning generative approaches provide an opportunity to broadly explore protein structure space beyond the sequences and structures of natural proteins. Here, we use deep network hallucination to generate a wide range of symmetric protein homo-oligomers given only a specification of the number of protomers and the protomer length. Crystal structures of seven designs are very similar to the computational models (median root mean square deviation: 0.6 angstroms), as are three cryo-electron microscopy structures of giant 10-nanometer rings with up to 1550 residues and symmetry; all differ considerably from previously solved structures. Our results highlight the rich diversity of new protein structures that can be generated using deep learning and pave the way for the design of increasingly complex components for nanomachines and biomaterials. |
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手法 | EM (単粒子) / X線回折 |
解像度 | 1.75 - 6.32 Å |
構造データ | ![]() EMDB-27658: cryoEM map of de novo hallucinated homooligomer of C15-C5 symmetry, design HALC15-5_262. ![]() EMDB-27659: cryoEM map of de novo hallucinated homooligomer of C18-C6 symmetry, design HALC18-6_265. ![]() EMDB-27660: cryoEM map of de novo hallucinated homooligomer of C33-C3 symmetry, design HALC33-3_343 ![]() PDB-8d03: ![]() PDB-8d04: ![]() PDB-8d05: ![]() PDB-8d06: ![]() PDB-8d07: ![]() PDB-8d08: ![]() PDB-8d09: |
化合物 | ![]() ChemComp-HOH: |
由来 |
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![]() | DE NOVO PROTEIN / De novo design Hallucination Cyclic Oligomer ProteinMPNN / De novo design Hallucination Cyclic ProteinMPNN |