PDB: 5653 resultsInfo pagesStatus searchChemie searchBIRD

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6BEO	Solution structure of de novo macrocycle design9.1 Descriptor: (DPR)PY(DHI)PKDL(DGN) Authors: Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. Deposit date: 2017-10-25 Release date: 2017-12-27 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
6BEQ	Solution structure of de novo macrocycle design10.1 Descriptor: AAR(DVA)(DPR)R(DLE)(DTH)PE Authors: Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. Deposit date: 2017-10-25 Release date: 2018-01-10 Last modified: 2023-11-15 Method: SOLUTION NMR Cite: Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
6BE9	Solution structure of de novo macrocycle design7.1 Descriptor: T(DLY)NDT(DSG)(DPR) Authors: Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B. Deposit date: 2017-10-24 Release date: 2017-12-27 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
6BEU	Solution structure of de novo macrocycle design14_ss Descriptor: (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR) Authors: Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. Deposit date: 2017-10-25 Release date: 2017-12-27 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
4RJV	Crystal Structure of a De Novo Designed Ferredoxin Fold, Northeast Structural Genomics Consortium (NESG) Target OR461 Descriptor: OR461 Authors: O'Connell, P.T, Lin, Y.-R, Guan, R, Koga, N, Koga, R, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) Deposit date: 2014-10-09 Release date: 2014-10-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.523 Å) Cite: Northeast Structural Genomics Consortium Target OR461 To be published
8BCT	X-ray crystal structure of a de novo selected helix-loop-helix heterodimer in a syn arrangement, 26alpha/26beta Descriptor: 26alpha, 26beta, ACETATE ION, ... Authors: Naudin, E.A, Mylemans, B, Smith, A.J, Savery, N.J, Woolfson, D.N. Deposit date: 2022-10-17 Release date: 2023-06-07 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Design and Selection of Heterodimerizing Helical Hairpins for Synthetic Biology. Acs Synth Biol, 12, 2023
2KPO	Solution NMR structure of de novo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium target OR16 Descriptor: rossmann 2x2 fold protein Authors: Liu, G, Koga, R, Koga, N, Xiao, R, Hamilton, K, Ciccosanti, C, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) Deposit date: 2009-10-17 Release date: 2009-12-01 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Solution NMR structure of denovo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium target OR16 To be Published
6V67	Apo Structure of the De Novo PD-1 Binding Miniprotein GR918.2 Descriptor: PD-1 Binding Miniprotein GR918.2 Authors: Bick, M.J, Bryan, C.M, Baker, D, Dimaio, F, Kang, A. Deposit date: 2019-12-04 Release date: 2020-12-09 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.07 Å) Cite: Computational design of a synthetic PD-1 agonist. Proc.Natl.Acad.Sci.USA, 118, 2021
7N2Y	Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing a dual Tris-thiolate Binding Site for Heavy Metal Complexes Descriptor: Apo-(GRAND CoilSerL16CL23C)3, ZINC ION Authors: Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. Deposit date: 2021-05-30 Release date: 2022-06-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead. J.Am.Chem.Soc., 143, 2021
7N2Z	Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) complexes in the dual Tris-thiolate Site Descriptor: CHLORIDE ION, LEAD (II) ION, Pb(II)2-(GRAND CoilSerL16CL23C)3, ... Authors: Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. Deposit date: 2021-05-30 Release date: 2022-06-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead. J.Am.Chem.Soc., 143, 2021
7O1D	A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.7 Descriptor: BH32.7 protein Authors: Levy, C.W. Deposit date: 2021-03-29 Release date: 2021-11-03 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction. Nat.Chem., 14, 2022
4OW4	Beta-trefoil designed by folding nucleus symmetric expansion ("Phifoil") Descriptor: Beta-terfoil designed by folding nucleus symmetric expansion ("Phifoil"), SULFATE ION Authors: Blaber, M, Longo, L.M. Deposit date: 2014-01-31 Release date: 2014-12-17 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.148 Å) Cite: Evolution and design of protein structure by folding nucleus symmetric expansion. Structure, 22, 2014
7MWQ	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
7MWR	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: 2024-04-03 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Reconfigurable asymmetric protein assemblies through implicit negative design. Science, 375, 2022
5VSG	Fibrils of the super helical repeat peptide, SHR-FF, grown at elevated temperature Descriptor: Super Helical Repeat Peptide SHR-FF Authors: Mondal, S, Sawaya, M.R, Eisenberg, D.S, Gazit, E. Deposit date: 2017-05-11 Release date: 2018-06-27 Last modified: 2020-01-01 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Transition of Metastable Cross-alpha Crystals into Cross-beta Fibrils by beta-Turn Flipping. J.Am.Chem.Soc., 141, 2019
5W0J	Antiparallel coiled coil hexamer formed by de novo peptides (ACC-Hex2). Descriptor: CHLORIDE ION, peptide 1 Authors: Spencer, R.K, Hochbaum, A.I. Deposit date: 2017-05-30 Release date: 2017-10-04 Last modified: 2022-12-14 Method: X-RAY DIFFRACTION (2.201 Å) Cite: The Phe-Ile Zipper: A Specific Interaction Motif Drives Antiparallel Coiled-Coil Hexamer Formation. Biochemistry, 56, 2017
5DZB	6beta1 Descriptor: 6beta1 Authors: Kabasakal, B.V, MacDonald, J.T, Murray, W.W. Deposit date: 2015-09-25 Release date: 2016-08-31 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (3.33 Å) Cite: Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension. Proc.Natl.Acad.Sci.USA, 113, 2016
6EGN	Crystal Structure of a Three-stranded Coiled Coil Peptide Containing a Trigonal Planar Hg(II)S3 Site Modified by D-Leu in the Second Coordination Sphere Descriptor: CHLORIDE ION, Hg(II)(GRAND CoilSerL16CL19(DLE))3-, MERCURY (II) ION, ... Authors: Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. Deposit date: 2018-08-20 Release date: 2019-04-03 Last modified: 2019-12-18 Method: X-RAY DIFFRACTION (1.84 Å) Cite: How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation. Chemistry, 25, 2019
5DQA	t3284 loop variant of beta1 Descriptor: t3284 Authors: Kabasakal, B.V, MacDonald, J.T, Murray, W.W. Deposit date: 2015-09-14 Release date: 2016-08-31 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (3.27 Å) Cite: Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension. Proc.Natl.Acad.Sci.USA, 113, 2016
6BE7	Solution structure of de novo macrocycle Design8.1 Descriptor: DDPT(DPR)(DAR)Q(DGN) Authors: Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. Deposit date: 2017-10-24 Release date: 2018-01-03 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
5SWK	Crystal structure of p53 epitope-scaffold based on a inhibitor of cysteine proteases in complex with human MDM2 Descriptor: CHLORIDE ION, De novo protein based on the inhibitor Amoebiasin-1, E3 ubiquitin-protein ligase Mdm2, ... Authors: Jimenez-Sandoval, P, Brieba, L.G. Deposit date: 2016-08-08 Release date: 2017-10-18 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.923 Å) Cite: Mimicking a p53-MDM2 interaction based on a stable immunoglobulin-like domain scaffold. Proteins, 86, 2018
5DN0	t1555 loop variant Descriptor: beta1 t1555 loop variant Authors: MacDonald, J.T, Kabasakal, B.V, Murray, J.W. Deposit date: 2015-09-09 Release date: 2016-08-31 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (4.4 Å) Cite: Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension. Proc.Natl.Acad.Sci.USA, 113, 2016
2LSE	Solution NMR Structure of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (NESG) Target OR188 Descriptor: Four Helix Bundle Protein Authors: Sathyamoorthy, B, Pulavarti, S, Murphy, G, Mills, J.L, Eletski, A, Der, B.S, Machius, M.C, Kuhlman, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) Deposit date: 2012-04-28 Release date: 2012-06-27 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Solution NMR Structure of a Denovo Design Four Helix Bundle Protein, Northeast Structural Genomics Consortium Target OR188 To be Published
4YFO	beta1_ex1 Descriptor: beta1_ex1 Authors: Murray, J.W, MacDonald, J.T. Deposit date: 2015-02-25 Release date: 2016-03-16 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (3.39 Å) Cite: Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension. Proc.Natl.Acad.Sci.USA, 113, 2016
4YXY	Computationally designed left-handed alpha/alpha toroid with 9 repeats; two linked rings of 12 repeats each structure Descriptor: dTor_9x31L Authors: Doyle, L, Stoddard, B.L, Bradley, P. Deposit date: 2015-03-23 Release date: 2015-12-16 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (3.203 Å) Cite: Rational design of alpha-helical tandem repeat proteins with closed architectures. Nature, 528, 2015

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