7DKK
 
 | | De novo design protein XM2H | | Descriptor: | De novo design protein XM2H | | Authors: | Bin, H. | | Deposit date: | 2020-11-24 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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7DGY
 | | De novo designed protein H4C2R | | Descriptor: | de novo designed protein H4C2R | | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | | Deposit date: | 2020-11-12 | | Release date: | 2021-12-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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7UPQ
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7UPO
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7UPP
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6CZG
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6CZJ
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6CZI
 | | Structure of a redesigned beta barrel, mFAP1, bound to DFHBI | | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1 | | Authors: | Doyle, L.A, Stoddard, B.L. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
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7LMX
 | | A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE | | Descriptor: | Integrin inhibitor | | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | | Deposit date: | 2021-02-06 | | Release date: | 2022-08-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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7LMV
 | | SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | | Descriptor: | Integrin inhibitor | | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | | Deposit date: | 2021-02-05 | | Release date: | 2022-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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6CZH
 | | Structure of a redesigned beta barrel, mFAP0, bound to DFHBI | | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0 | | Authors: | Doyle, L.A, Stoddard, B.L. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
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8OYS
 | | De novo designed TIM barrel fold TBF_24 | | Descriptor: | CHLORIDE ION, De novo designed TIM-barrel | | Authors: | Pacesa, M, Correia, B.E. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
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8UOS
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8OYY
 | | De novo designed soluble GPCR-like fold GLF_32 | | Descriptor: | CHLORIDE ION, De novo designed soluble GPCR-like protein, POTASSIUM ION | | Authors: | Pacesa, M, Correia, B.E. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
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7UDJ
 | | Crystal structure of designed helical repeat protein RPB_PEW3_R4 bound to PAWx4 peptide | | Descriptor: | 4xPAW peptide, De novo designed helical repeat protein RPB_PEW3_R4 | | Authors: | Redler, R.L, Chang, Y, Bhabha, G, Ekiert, D. | | Deposit date: | 2022-03-20 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
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7M0Q
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8TCG
 | | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | Deposit date: | 2023-06-30 | | Release date: | 2023-09-27 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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2KI0
 | | NMR Structure of a de novo designed beta alpha beta | | Descriptor: | DS119 | | Authors: | Liang, H, Chen, H, Fan, K, Wei, P, Guo, X, Jin, C, Zeng, C, Tang, C, Lai, L. | | Deposit date: | 2009-04-18 | | Release date: | 2009-10-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | De novo design of a beta alpha beta motif.
Angew.Chem.Int.Ed.Engl., 48, 2009
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8TCF
 | | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | Deposit date: | 2023-06-30 | | Release date: | 2023-09-27 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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8YE0
 | | Crystal structure of KgpF prenyltransferase | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LynF/TruF/PatF family peptide O-prenyltransferase, MAGNESIUM ION, ... | | Authors: | Hamada, K, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | | Deposit date: | 2024-02-21 | | Release date: | 2024-06-19 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | De Novo Discovery of Pseudo-Natural Prenylated Macrocyclic Peptide Ligands.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8FRE
 | | Designed loop protein RBL4 | | Descriptor: | 1,2-ETHANEDIOL, RBL4 | | Authors: | Jude, K.M, Jiang, H, Baker, D, Garcia, K.C. | | Deposit date: | 2023-01-06 | | Release date: | 2024-04-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | De novo design of buttressed loops for sculpting protein functions.
Nat.Chem.Biol., 20, 2024
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8FRF
 | | Homodimeric designed loop protein RBL7_C2_3 | | Descriptor: | MALONATE ION, RBL7_C2_3 | | Authors: | Jude, K.M, Jiang, H, Baker, D, Garcia, K.C. | | Deposit date: | 2023-01-06 | | Release date: | 2024-04-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | De novo design of buttressed loops for sculpting protein functions.
Nat.Chem.Biol., 20, 2024
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8W0Q
 | | Pembrolizumab CDR-H3 Loop Mimic | | Descriptor: | Pembrolizumab CDR-H3 Loop Mimic | | Authors: | Feig, M, Roche, S.P. | | Deposit date: | 2024-02-14 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-31 | | Method: | SOLUTION NMR | | Cite: | De Novo Synthesis and Structural Elucidation of CDR-H3 Loop Mimics.
Acs Chem.Biol., 19, 2024
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6UTV
 | | E. coli sigma-S transcription initiation complex with a 6-nt RNA ("Fresh" crystal soaked with CTP, UTP, GTP, and ddATP for 150 seconds) | | Descriptor: | DIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Zuo, Y, De, S, Steitz, T.A. | | Deposit date: | 2019-10-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
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6UUA
 | | E. coli sigma-S transcription initiation complex with a mismatching CTP ("Fresh" crystal soaked with CTP for 2 hours) | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Zuo, Y, De, S, Steitz, T.A. | | Deposit date: | 2019-10-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (4.002 Å) | | Cite: | Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
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