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8EOZ
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BU of 8eoz by Molmil
Precisely patterned nanofibers made from extendable protein multiplexes
Descriptor: C3HR3_4r
Authors:Bera, A.K, Bethel, N.P, Kang, A.
Deposit date:2022-10-04
Release date:2023-08-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
8EOV
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BU of 8eov by Molmil
Precisely patterned nanofibers made from extendable protein multiplexes
Descriptor: C2HR1_4r, PHOSPHATE ION
Authors:Bera, A.K, Bethel, N.P.
Deposit date:2022-10-04
Release date:2023-08-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
8EOX
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BU of 8eox by Molmil
Precisely patterned nanofibers made from extendable protein multiplexes
Descriptor: C4HR1_4r
Authors:Bera, A.K, Bethel, N.P.
Deposit date:2022-10-04
Release date:2023-08-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
6WHO
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BU of 6who by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WHN
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BU of 6whn by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WHQ
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BU of 6whq by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WHZ
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BU of 6whz by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WI3
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BU of 6wi3 by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WMK
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BU of 6wmk by Molmil
Crystal structure of beta sheet heterodimer LHD29
Descriptor: Beta sheet heterodimer LHD29 - Chain A, Beta sheet heterodimer LHD29 - Chain B
Authors:Bera, A.K, Sahtoe, D.D, Kang, A, Sankaran, B, Baker, D.
Deposit date:2020-04-21
Release date:2021-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
6X9Z
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BU of 6x9z by Molmil
De novo design of transmembrane beta-barrels
Descriptor: Transmembrane beta-barrels
Authors:Bera, A.K, Vorobieva, A.A, Kang, A.S, Baker, D.
Deposit date:2020-06-03
Release date:2021-02-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:De novo design of transmembrane beta barrels.
Science, 371, 2021
6XI6
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BU of 6xi6 by Molmil
Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks
Descriptor: helical fusion design
Authors:Bera, A.K, Hsia, Y, Kang, A.S, Shankaran, B, Baker, D.
Deposit date:2020-06-19
Release date:2021-06-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6XH5
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BU of 6xh5 by Molmil
Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks
Descriptor: helical fusion design
Authors:Bera, A.K, Hsia, Y, Kang, A.S, Baker, D.
Deposit date:2020-06-18
Release date:2021-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
7UR7
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BU of 7ur7 by Molmil
17_bp_sh3, a small beta-barrel de novo designed protein
Descriptor: 17_bp_sh3
Authors:Bera, A.K, Kim, D, Baker, D.
Deposit date:2022-04-21
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
7UR8
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BU of 7ur8 by Molmil
170_h_ob, a small beta-barrel de novo designed protein
Descriptor: 170_h_ob
Authors:Bera, A.K, Kim, D, Baker, D.
Deposit date:2022-04-21
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
6W3W
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BU of 6w3w by Molmil
An enumerative algorithm for de novo design of proteins with diverse pocket structures
Descriptor: DENOVO NTF2, NITRATE ION
Authors:Bera, A.K, Basanta, B, Dimaio, F, Sankaran, B, Baker, D.
Deposit date:2020-03-09
Release date:2020-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W40
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BU of 6w40 by Molmil
An enumerative algorithm for de novo design of proteins with diverse pocket structures
Descriptor: DENOVO NTF2
Authors:Bera, A.K, Basanta, B, Sankaran, B, Baker, D.
Deposit date:2020-03-09
Release date:2020-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6BP1
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BU of 6bp1 by Molmil
Crystal structure of human KRAS A59G mutant in complex with GCP
Descriptor: GTPase KRas, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Bera, A.K, Lu, J, Westover, K.D.
Deposit date:2017-11-21
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
6BOF
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BU of 6bof by Molmil
Crystal structure of KRAS A146T-GDP demonstrating open switch 1 conformation
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
Authors:Bera, A.K, Yan, W, Westover, K.D.
Deposit date:2017-11-20
Release date:2019-05-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Tissue-Specific Oncogenic Activity of KRASA146T.
Cancer Discov, 9, 2019
7KUW
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BU of 7kuw by Molmil
High-throughput design and refinement of stable proteins using sequence-only models
Descriptor: Sequence-Based Designed Protein nmt_0994_guided_02
Authors:Bera, A.K, Stewart, L, Kang, A.S, Baker, D.
Deposit date:2020-11-25
Release date:2021-12-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Large-scale design and refinement of stable proteins using sequence-only models.
Plos One, 17, 2022
7MWR
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BU of 7mwr by Molmil
Structure of De Novo designed beta sheet heterodimer LHD101A53/B4
Descriptor: LHD101A54, LHD101B4, MALONATE ION
Authors:Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D.
Deposit date:2021-05-17
Release date:2022-01-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
7MWQ
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BU of 7mwq by Molmil
Structure of De Novo designed beta sheet heterodimer LHD29A53/B53
Descriptor: LHD29A53, LHD29B53
Authors:Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D.
Deposit date:2021-05-17
Release date:2022-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
8CUT
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BU of 8cut by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: I432-1(Imd) Chain A, I432-1(Imd) Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (4 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUX
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BU of 8cux by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: R3-1 Chain B
Authors:Bera, A.K, Natterman, U, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CWZ
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BU of 8cwz by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: I432-1-X3 Chain A, I432-1-X3 Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-19
Release date:2023-11-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (5.53 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUU
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BU of 8cuu by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: F4132-1-0 chain A, F4132-1-0 chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023

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