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Designed enzyme RA61 M48K/I72D mutant: form I
Descriptor:	Engineered Retroaldolase, FORMIC ACID, GLYCEROL
Authors:	Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
Deposit date:	2021-06-09
Release date:	2021-11-24
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.14 Å)
Cite:	Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions. Chembiochem, 23, 2022

7F1K

Designed enzyme RA61 M48K/I72D mutant: form IV
Descriptor:	Engineered Retroaldolase
Authors:	Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
Deposit date:	2021-06-09
Release date:	2021-11-24
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.05 Å)
Cite:	Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions. Chembiochem, 23, 2022

7F1I

Designed enzyme RA61 M48K/I72D mutant: form II
Descriptor:	Engineered Retroaldolase
Authors:	Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
Deposit date:	2021-06-09
Release date:	2021-11-24
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.4 Å)
Cite:	Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions. Chembiochem, 23, 2022

7F1J

Designed enzyme RA61 M48K/I72D mutant: form III
Descriptor:	Engineered Retroaldolase
Authors:	Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
Deposit date:	2021-06-09
Release date:	2021-11-24
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions. Chembiochem, 23, 2022

6Z2I

Crystal structure of DeNovoTIM6, a de novo designed TIM barrel
Descriptor:	de novo designed TIM barrel DeNovoTIM6
Authors:	Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A, Hocker, B.
Deposit date:	2020-05-15
Release date:	2021-07-21
Last modified:	2024-05-01
Method:	X-RAY DIFFRACTION (2.901 Å)
Cite:	The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach. J.Mol.Biol., 433, 2021

6Z1L

A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12
Descriptor:	1,2-ETHANEDIOL, BH32.12 protein, PHOSPHATE ION
Authors:	Levy, C.W.
Deposit date:	2020-05-13
Release date:	2021-08-25
Last modified:	2024-01-24
Method:	X-RAY DIFFRACTION (2.29 Å)
Cite:	Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction. Nat.Chem., 14, 2022

6Z1K

A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.6
Descriptor:	1,2-ETHANEDIOL, BH32.6 protein, CALCIUM ION, ...
Authors:	Levy, C.W.
Deposit date:	2020-05-13
Release date:	2021-08-25
Last modified:	2024-01-24
Method:	X-RAY DIFFRACTION (1.48 Å)
Cite:	Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction. Nat.Chem., 14, 2022

7TYD

Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder in P21 space group
Descriptor:	Binder, Fibroblast growth factor receptor 4
Authors:	Park, J.S, Lee, S.
Deposit date:	2022-02-12
Release date:	2022-11-09
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (2.86 Å)
Cite:	Isoform-specific inhibition of FGFR signaling achieved by a de-novo-designed mini-protein. Cell Rep, 41, 2022

5KWO

NMR Solution Structure of Designed Peptide NC_EHE_D1
Descriptor:	Designed peptide NC_EHE_D1
Authors:	Harvey, P.J, Craik, D.J.
Deposit date:	2016-07-18
Release date:	2016-09-21
Last modified:	2016-11-02
Method:	SOLUTION NMR
Cite:	Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016

5KWX

NMR Solution Structure of Designed Peptide NC_EEH_D1
Descriptor:	Designed peptide NC_EEH_D1
Authors:	Harvey, P.J, Craik, D.J.
Deposit date:	2016-07-19
Release date:	2016-09-21
Last modified:	2023-06-14
Method:	SOLUTION NMR
Cite:	Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016

5KWP

NMR Solution Structure of Designed Peptide NC_EEH_D2
Descriptor:	Designed peptide NC_EEH_D2
Authors:	Harvey, P.J, Craik, D.J.
Deposit date:	2016-07-18
Release date:	2016-09-21
Last modified:	2023-06-14
Method:	SOLUTION NMR
Cite:	Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016

5KVN

NMR Solution Structure of Designed Peptide NC_HEE_D1
Descriptor:	Designed peptide NC_HEE_D1
Authors:	Harvey, P.J, Craik, D.J.
Deposit date:	2016-07-14
Release date:	2016-09-21
Last modified:	2023-06-14
Method:	SOLUTION NMR
Cite:	Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016

5KX0

NMR Solution Structure of Designed Peptide NC_cHh_DL_D1
Descriptor:	Designed peptide NC_cHh_DL_D1
Authors:	Harvey, P.J, Craik, D.J.
Deposit date:	2016-07-19
Release date:	2016-09-21
Last modified:	2023-06-14
Method:	SOLUTION NMR
Cite:	Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016

5KPH

Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR485
Descriptor:	De novo Beta Sheet Design Protein OR485
Authors:	Tang, Y, Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:	2016-07-04
Release date:	2016-09-28
Last modified:	2024-05-15
Method:	SOLUTION NMR
Cite:	Principles for designing proteins with cavities formed by curved beta sheets. Science, 355, 2017

5KX2

NMR Solution Structure of Designed Peptide NC_cEE_D1
Descriptor:	Designed peptide NC_cEE_D1
Authors:	Harvey, P.J, Craik, D.J.
Deposit date:	2016-07-19
Release date:	2016-09-21
Last modified:	2023-06-14
Method:	SOLUTION NMR
Cite:	Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016

5KWZ

NMR Solution Structure of Designed Peptide NC_cHH_D1
Descriptor:	Designed peptide NC_cHH_D1
Authors:	Harvey, P.J, Craik, D.J.
Deposit date:	2016-07-19
Release date:	2016-09-21
Last modified:	2023-06-14
Method:	SOLUTION NMR
Cite:	Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016

5KX1

NMR Solution Structure of Designed Peptide NC_cHHH_D1
Descriptor:	Designed peptide NC_cHHH_D1
Authors:	Harvey, P.J, Craik, D.J.
Deposit date:	2016-07-19
Release date:	2016-09-21
Last modified:	2023-06-14
Method:	SOLUTION NMR
Cite:	Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016

7UPQ

Crystal structure of designed heterotrimeric assembly DHT03_1arm_A21/B/C
Descriptor:	DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:	Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:	2022-04-16
Release date:	2022-12-14
Last modified:	2024-04-03
Method:	X-RAY DIFFRACTION (3.35 Å)
Cite:	De novo design of obligate ABC-type heterotrimeric proteins. Nat.Struct.Mol.Biol., 29, 2022

7UPP

Crystal structure of designed heterotrimeric assembly DHT03_2arm_A21/B21/C long
Descriptor:	DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:	Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:	2022-04-16
Release date:	2022-12-14
Last modified:	2024-04-03
Method:	X-RAY DIFFRACTION (3.35 Å)
Cite:	De novo design of obligate ABC-type heterotrimeric proteins. Nat.Struct.Mol.Biol., 29, 2022

7UPO

Crystal structure of designed heterotrimeric assembly DHT03
Descriptor:	DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:	Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:	2022-04-16
Release date:	2022-12-14
Last modified:	2024-04-03
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	De novo design of obligate ABC-type heterotrimeric proteins. Nat.Struct.Mol.Biol., 29, 2022

8DZ8

Neoleukin 4, a de novo designed IL-4 mimetic
Descriptor:	neoleukin-4
Authors:	Jude, K.M, Spangler, J.B, Garcia, K.C.
Deposit date:	2022-08-06
Release date:	2023-03-29
Last modified:	2023-10-25
Method:	X-RAY DIFFRACTION (2.972 Å)
Cite:	Design of cell-type-specific hyperstable IL-4 mimetics via modular de novo scaffolds. Nat.Chem.Biol., 19, 2023

8EQI

Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.2.0
Descriptor:	Cyclopeptide des4.2.0, Hdac6 protein, POTASSIUM ION, ...
Authors:	Watson, P.R, Christianson, D.W.
Deposit date:	2022-10-07
Release date:	2023-04-19
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Macrocyclic Octapeptide Binding and Inferences on Protein Substrate Binding to Histone Deacetylase 6. Acs Chem.Biol., 18, 2023

6VL5

BG505 SOSIP reconstructed from a designed tetrahedral nanoparticle, BG505 SOSIP-T33_dn2
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2(7S) - gp120, ...
Authors:	Ward, A.B, Antanasijevic, A.
Deposit date:	2020-01-22
Release date:	2020-08-12
Last modified:	2020-09-02
Method:	ELECTRON MICROSCOPY (4.5 Å)
Cite:	Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations. NPJ Vaccines, 5, 2020

4O5S

Crystal structure of Diels-Alderase CE11
Descriptor:	Diisopropyl-fluorophosphatase
Authors:	Beck, T, Preiswerk, N, Mayer, C, Hilvert, D.
Deposit date:	2013-12-20
Release date:	2014-06-04
Last modified:	2023-11-08
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase. Proc.Natl.Acad.Sci.USA, 111, 2014

4O5T

Crystal structure of Diels-Alderase CE20 in complex with a product analog
Descriptor:	4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate, Diisopropyl-fluorophosphatase
Authors:	Beck, T, Preiswerk, N, Mayer, C, Hilvert, D.
Deposit date:	2013-12-20
Release date:	2014-06-04
Last modified:	2023-11-08
Method:	X-RAY DIFFRACTION (2.9 Å)
Cite:	Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase. Proc.Natl.Acad.Sci.USA, 111, 2014

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