6R1A
 
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6R1D
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6R1K
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6R1W
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6R1X
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6R1C
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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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6CZG
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6CZJ
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8BFE
 | | A dimeric de novo coiled-coil assembly: PK-2 (CC-TypeN-LaUbUcLd) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CC-TypeN-LaUbUcLd, ... | | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | | Deposit date: | 2022-10-25 | | Release date: | 2022-11-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
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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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5G37
 | | MR structure of the binary mosquito larvicide BinAB at pH 5 | | Descriptor: | 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN | | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | | Deposit date: | 2016-04-24 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
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6N80
 | | S. aureus ClpP bound to anti-4a | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide | | Authors: | Lee, R.E, Griffith, E.C. | | Deposit date: | 2018-11-28 | | Release date: | 2019-06-26 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX.
J.Med.Chem., 62, 2019
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7RMX
 | | Structure of De Novo designed tunable symmetric protein pockets | | Descriptor: | Tunable symmetric protein, D_3_212 | | Authors: | Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4C52
 | | Crystal structure of Bcl-xL in complex with benzoylurea compound (39b) | | Descriptor: | (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2013-09-10 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.049 Å) | | Cite: | De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
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4C5D
 | | Crystal structure of Bcl-xL in complex with benzoylurea compound (42) | | Descriptor: | (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2013-09-11 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
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8J98
 | | A near-infrared fluorescent protein of de novo backbone design | | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, FORMIC ACID, GLYCEROL, ... | | Authors: | Hu, X, Xu, Y. | | Deposit date: | 2023-05-02 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | De novo backbone design for monomerization of near-infrared fluorescent protein
To Be Published
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7L33
 | | X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer | | Descriptor: | COPPER (II) ION, Cu-3SCC | | Authors: | Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D. | | Deposit date: | 2020-12-17 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide
Acs Catalysis, 11, 2021
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7QDK
 | | A trimeric de novo coiled-coil assembly: CC-TypeN-LaLd | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CC-TypeN-LaLd, GLYCEROL, ... | | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | | Deposit date: | 2021-11-27 | | Release date: | 2022-04-27 | | Last modified: | 2022-07-27 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
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7JRQ
 | | Crystallographically Characterized De Novo Designed Mn-Diphenylporphyrin Binding Protein | | Descriptor: | CHLORIDE ION, GLYCEROL, MPP1, ... | | Authors: | Mann, S.I, DeGrado, W.F. | | Deposit date: | 2020-08-12 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | De Novo Design, Solution Characterization, and Crystallographic Structure of an Abiological Mn-Porphyrin-Binding Protein Capable of Stabilizing a Mn(V) Species.
J.Am.Chem.Soc., 143, 2021
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4AF0
 | | Crystal structure of cryptococcal inosine monophosphate dehydrogenase | | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, MYCOPHENOLIC ACID, ... | | Authors: | Valkov, E, Stamp, A, Morrow, C.A, Kobe, B, Fraser, J.A. | | Deposit date: | 2012-01-15 | | Release date: | 2012-10-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | De Novo GTP Biosynthesis is Critical for Virulence of the Fungal Pathogen Cryptococcus Neoformans
Plos Pathog., 8, 2012
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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: | 2024-04-03 | | 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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7K3H
 | | Crystal structure of deep network hallucinated protein 0217 | | Descriptor: | Network hallucinated protein 0217 | | Authors: | Pellock, S.J, Anishchenko, I, Chidyausiku, T.M, Bera, A.K, DiMaio, F, Baker, D. | | Deposit date: | 2020-09-11 | | Release date: | 2021-12-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | De novo protein design by deep network hallucination.
Nature, 600, 2021
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7M0Q
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