Top-down design of protein architectures with reinforcement learning
Resolution: 3.01 Å
EM Method: Single-particle
Fitted PDBs: 8f4x
Q-score: 0.484
Lutz ID, Wang S, Norn C, Courbet A, Borst AJ, Zhao YT, Dosey A, Cao L, Xu J, Leaf EM, Treichel C, Litvicov P, Li Z, Goodson AD, Rivera-Sanchez P, Bratovianu AM, Baek M, King NP, Ruohola-Baker H, Baker D
Science (2023) 380 pp. 266-273 [ Pubmed: 37079676 DOI: doi:10.1126/science.adf6591 ]
- Rc_i_1-h11 (Complex from Escherichia coli)
- Rc_i_1-h11 (7 kDa, Protein from synthetic construct)
Top-down design of protein architectures with reinforcement learning
Resolution: 2.93 Å
EM Method: Single-particle
Fitted PDBs: 8f53
Q-score: 0.555
Lutz ID, Wang S, Norn C, Courbet A, Borst AJ, Zhao YT, Dosey A, Cao L, Xu J, Leaf EM, Treichel C, Litvicov P, Li Z, Goodson AD, Rivera-Sanchez P, Bratovianu AM, Baek M, King NP, Ruohola-Baker H, Baker D
Science (2023) 380 pp. 266-273 [ Pubmed: 37079676 DOI: doi:10.1126/science.adf6591 ]
- Rc_i_2 (5 kDa, Protein from synthetic construct)
- Rc_i_2 (Complex from Escherichia coli)
Top-down design of protein architectures with reinforcement learning
Resolution: 2.5 Å
EM Method: Single-particle
Fitted PDBs: 8f54
Q-score: 0.61
Lutz ID, Wang S, Norn C, Courbet A, Borst AJ, Zhao YT, Dosey A, Cao L, Xu J, Leaf EM, Treichel C, Litvicov P, Li Z, Goodson AD, Rivera-Sanchez P, Bratovianu AM, Baek M, King NP, Ruohola-Baker H, Baker D
Science (2023) 380 pp. 266-273 [ Pubmed: 37079676 DOI: doi:10.1126/science.adf6591 ]
- Rc_i_1 (Complex from Escherichia coli)
- Rc_i_1 (7 kDa, Protein from synthetic construct)
SARS-CoV-2 spike in complex with LCB1 (2RBDs open)
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 7jzl
Q-score: 0.493
Cao L, Goreshnik I, Coventry B, Case JB, Miller L, Kozodoy L, Chen RE, Carter L, Walls AC, Park YJ, Strauch EM, Stewart L, Diamond MS, Veesler D, Baker D
Science (2020) 370 pp. 426-431 [ Pubmed: 32907861 DOI: doi:10.1126/science.abd9909 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Lcb1 (6 kDa, Protein from synthetic construct)
- De novo design of picomolar sars-cov-2 miniprotein inhibitors (Complex)
- Lcb1 (Complex from synthetic construct)
- Sars-cov-2 spike (Complex from Severe acute respiratory syndrome coronavirus 2)
- Spike glycoprotein (142 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
SARS-CoV-2 spike in complex with LCB3 (local refinement of the RBD and LCB3)
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 7jzm
Q-score: 0.451
Cao L, Goreshnik I, Coventry B, Case JB, Miller L, Kozodoy L, Chen RE, Carter L, Walls AC, Park YJ, Strauch EM, Stewart L, Diamond MS, Veesler D, Baker D
Science (2020) 370 pp. 426-431 [ Pubmed: 32907861 DOI: doi:10.1126/science.abd9909 ]
- Lcb3 (11 kDa, Protein from synthetic construct)
- Lcb3 (Complex from synthetic construct)
- De novo design of picomolar sars-cov-2 miniprotein inhibitors (Complex)
- Spike glycoprotein (142 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Sars-cov-2 spike (Complex from Severe acute respiratory syndrome coronavirus 2)
SARS-CoV-2 spike in complex with LCB3 (2RBDs open)
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 7jzn
Q-score: 0.478
Cao L, Goreshnik I, Coventry B, Case JB, Miller L, Kozodoy L, Chen RE, Carter L, Walls AC, Park YJ, Strauch EM, Stewart L, Diamond MS, Veesler D, Baker D
Science (2020) 370 pp. 426-431 [ Pubmed: 32907861 DOI: doi:10.1126/science.abd9909 ]
- 2-acetamido-2-deoxy-beta-d-glucopyranose (221 Da, Ligand)
- Lcb3 (11 kDa, Protein from synthetic construct)
- Lcb3 (Complex from synthetic construct)
- De novo design of picomolar sars-cov-2 miniprotein inhibitors (Complex)
- Spike glycoprotein (142 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)
- Sars-cov-2 spike (Complex from Severe acute respiratory syndrome coronavirus 2)
SARS-CoV-2 spike in complex with LCB3 (3RBDs open)
Cao L, Goreshnik I, Coventry B, Case JB, Miller L, Kozodoy L, Chen RE, Carter L, Walls AC, Park YJ, Strauch EM, Stewart L, Diamond MS, Veesler D, Baker D
Science (2020) 370 pp. 426-431 [ Pubmed: 32907861 DOI: doi:10.1126/science.abd9909 ]
- Sars-cov-2 spike (Protein from Severe acute respiratory syndrome-related coronavirus)
- Lcb3 (Complex from synthetic construct)
- De novo design of picomolar sars-cov-2 miniprotein inhibitors (Complex)
- Lcb3 (Protein)
- Sars-cov-2 spike (Complex from Severe acute respiratory syndrome coronavirus 2)
SARS-CoV-2 spike in complex with LCB1 (local refinement of the RBD and LCB1)
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 7jzu
Q-score: 0.481
Cao L, Goreshnik I, Coventry B, Case JB, Miller L, Kozodoy L, Chen RE, Carter L, Walls AC, Park YJ, Strauch EM, Stewart L, Diamond MS, Veesler D, Baker D
Science (2020) 370 pp. 426-431 [ Pubmed: 32907861 DOI: doi:10.1126/science.abd9909 ]
- Lcb1 (7 kDa, Protein from synthetic construct)
- De novo design of picomolar sars-cov-2 miniprotein inhibitors (Complex)
- Lcb1 (Complex from synthetic construct)
- Sars-cov-2 spike (Complex from Severe acute respiratory syndrome coronavirus 2)
- Spike glycoprotein (142 kDa, Protein from Severe acute respiratory syndrome coronavirus 2)