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PDB: 464 results

8FG6
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BU of 8fg6 by Molmil
Design of amyloidogenic peptide traps
Descriptor: C104.1, amyloidogenic peptide
Authors:Sahtoe, D.D, Bera, A.K, Baker, D.
Deposit date:2022-12-12
Release date:2024-03-20
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of amyloidogenic peptide traps.
Nat.Chem.Biol., 20, 2024
5J73
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BU of 5j73 by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
Descriptor: protein design 2L4HC2_9
Authors:Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
Deposit date:2016-04-05
Release date:2016-05-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
5W9F
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BU of 5w9f by Molmil
Solution structure of the de novo mini protein gHEEE_02
Descriptor: De novo mini protein gHEEE_02
Authors:Pulavarti, S.V.S.R.K, Shaw, E.A, Bahl, C.D, Garry, B.W, Baker, D, Szyperski, T.
Deposit date:2017-06-23
Release date:2018-07-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Cytosolic expression, solution structures, and molecular dynamics simulation of genetically encodable disulfide-rich de novo designed peptides.
Protein Sci., 27, 2018
8GL3
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BU of 8gl3 by Molmil
De novo design of monomeric helical bundles for pH-controlled membrane lysis
Descriptor: pRLB-519
Authors:Goldbach, N, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-03-20
Release date:2023-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of monomeric helical bundles for pH-controlled membrane lysis.
Protein Sci., 32, 2023
7M5T
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BU of 7m5t by Molmil
Solution NMR structure of de novo designed protein 0515
Descriptor: De novo designed protein 0515
Authors:Ramelot, T.A, Hao, J, Baker, D, Montelione, G.T.
Deposit date:2021-03-24
Release date:2021-12-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo protein design by deep network hallucination.
Nature, 600, 2021
8U5W
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BU of 8u5w by Molmil
De novo designed pentameric helical bundle protein
Descriptor: WSHC5
Authors:Bick, M.J, Xu, C, Sankaran, B, Baker, D.
Deposit date:2023-09-13
Release date:2024-09-25
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:De novo Design of Near Infrared Fluorescent Proteins
To Be Published
7S5B
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BU of 7s5b by Molmil
Unbound State of a De novo designed Protein Binder to the Human Interleukin-7 Receptor
Descriptor: Miniprotein Binder
Authors:Walsh, S.T.R, Cao, L, Baker, D.
Deposit date:2021-09-10
Release date:2022-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
8T5E
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BU of 8t5e by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
Descriptor: Bcl-2-like protein 11, Bim_fulldiff
Authors:Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-06-13
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8VD6
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BU of 8vd6 by Molmil
Crystal structure of CAP Repeat
Descriptor: CAP REPEAT
Authors:Bera, A.K, Gershon, J.M, Kang, A, Baker, D.
Deposit date:2023-12-14
Release date:2024-09-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Multistate and functional protein design using RoseTTAFold sequence space diffusion.
Nat.Biotechnol., 2024
8FJF
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BU of 8fjf by Molmil
The three-repeat design H10
Descriptor: H10
Authors:Bera, A.K, An, L, Baker, D.
Deposit date:2022-12-19
Release date:2023-09-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Hallucination of closed repeat proteins containing central pockets.
Nat.Struct.Mol.Biol., 30, 2023
5K7V
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BU of 5k7v by Molmil
Computational Design of Self-Assembling Cyclic Protein Homooligomers
Descriptor: Designed protein HR00C3
Authors:Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D.
Deposit date:2016-05-26
Release date:2017-04-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.165 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
3U26
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BU of 3u26 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48
Descriptor: PF00702 domain protein
Authors:Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-11-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Acs Chem.Biol., 8, 2013
2A3J
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BU of 2a3j by Molmil
Structure of URNdesign, a complete computational redesign of human U1A protein
Descriptor: U1 small nuclear ribonucleoprotein A
Authors:Varani, G, Dobson, N, Dantas, G, Baker, D.
Deposit date:2005-06-24
Release date:2006-06-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-Resolution Structural Validation of the Computational Redesign of Human U1A Protein
Structure, 14, 2006
8UZL
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BU of 8uzl by Molmil
Designed Transmembrane beta-barrel- TMB10_163
Descriptor: Designed Transmembrane beta-barrel TMB10_163, HEXANE-1,6-DIOL
Authors:Bera, A.K, Lemma, S.B, Kang, A, Baker, D.
Deposit date:2023-11-15
Release date:2024-07-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Sculpting conducting nanopore size and shape through de novo protein design.
Science, 385, 2024
8UTK
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BU of 8utk by Molmil
IL-23R minibinder - 23R-B04dslf02IB
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 23R-B04dslf02IB, ...
Authors:Bera, A.K, Berger, S.A, Kang, A, Baker, D.
Deposit date:2023-10-31
Release date:2024-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Preclinical proof of principle for orally delivered Th17 antagonist miniproteins.
Cell, 187, 2024
8VC8
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BU of 8vc8 by Molmil
Crystal structure of heme-loaded design: HEM_3.C9
Descriptor: HEM_3.C9, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Kalvet, I, Bera, A.K, Baker, D.
Deposit date:2023-12-13
Release date:2024-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Generalized biomolecular modeling and design with RoseTTAFold All-Atom.
Science, 384, 2024
8T5F
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BU of 8t5f by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
Descriptor: Parathyroid hormone
Authors:Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-06-13
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
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
4FB7
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BU of 4fb7 by Molmil
The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Indole-3-glycerol phosphate synthase
Authors:Michalska, K, Chhor, G, Jedrzejczak, R, Terwilliger, T.C, Rubin, E.J, Guinn, K, Baker, D, Ioerger, T.R, Sacchettini, J.C, Joachimiak, A, Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI), Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-05-22
Release date:2012-06-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis
To be Published
5DYL
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BU of 5dyl by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form
Descriptor: cGMP-dependent protein kinase, putative
Authors:Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
Deposit date:2015-09-24
Release date:2015-11-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
7FB8
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BU of 7fb8 by Molmil
De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd1
Descriptor: ASP-ASP-LYS-ASP-CYS-ASP-GLU-TYR-CYS-LYS-LYS-THR-LYS-GLU-NH2, GLU-LE1-THR-GLY-HIS-ILE-GLU-GLY-PRO-THR-LE1-THR-LE1-HIS-CYS-LYS-NH2
Authors:Yao, H, Yao, S, Zheng, Y, Moyer, A, Baker, D, Wu, C.
Deposit date:2021-07-08
Release date:2022-05-18
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:De novo design and directed folding of disulfide-bridged peptide heterodimers.
Nat Commun, 13, 2022
7FBA
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BU of 7fba by Molmil
De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd2
Descriptor: ALA-LE1-CYS-GLU-CYS-GLY-PRO-THR-ARG-GLU-CYS-LYS-NH2, GLU-CYS-ARG-GLU-TYR-GLY-PRO-LE1-LYS-LE1-LE1-ALA-NH2
Authors:Yao, H, Yao, S, Moyer, A, Zheng, Y, Baker, D, Wu, C.
Deposit date:2021-07-08
Release date:2022-05-18
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:De novo design and directed folding of disulfide-bridged peptide heterodimers.
Nat Commun, 13, 2022
6DMP
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BU of 6dmp by Molmil
De Novo Design of a Protein Heterodimer with Specificity Mediated by Hydrogen Bond Networks
Descriptor: Designed orthogonal protein DHD13_XAAA_A, Designed orthogonal protein DHD13_XAAA_B
Authors:Chen, Z, Flores-Solis, D, Sgourakis, N.G, Baker, D.
Deposit date:2018-06-05
Release date:2018-12-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
5WP3
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BU of 5wp3 by Molmil
Crystal Structure of EED in complex with EB22
Descriptor: EB22, Polycomb protein EED, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-08-03
Release date:2017-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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