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8F54	Top-down design of protein architectures with reinforcement learning Descriptor: RC_I_1 Authors: Borst, A.J, Baker, D. Deposit date: 2022-11-11 Release date: 2023-05-10 Last modified: 2024-06-19 Method: ELECTRON MICROSCOPY (2.5 Å) Cite: Top-down design of protein architectures with reinforcement learning. Science, 380, 2023
6IEI	Loop deletion and proline insertion mutant (deleting six residues and inserted five proline residues) Descriptor: Outer surface protein A Authors: Shiga, S, Makabe, K. Deposit date: 2018-09-14 Release date: 2019-07-03 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Domain-Swapping Design by Polyproline Rod Insertion. Chembiochem, 20, 2019
6IMH	Solution Structure of Bicyclic Peptide pb-18 Descriptor: (ACE)-GLY-CYS-PRO-CYS-GLU-PRO-SER-TYR-LEU-CYS-PRO-TRP-LEU-PRO-GLY-CYS-(NH2) Authors: Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C. Deposit date: 2018-10-22 Release date: 2019-08-28 Method: SOLUTION NMR Cite: Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns. Chembiochem, 20, 2019
8F4X	Top-down design of protein architectures with reinforcement learning Descriptor: RC_I_1-H11 Authors: Borst, A.J, Baker, D. Deposit date: 2022-11-11 Release date: 2023-05-10 Last modified: 2024-06-19 Method: ELECTRON MICROSCOPY (3.01 Å) Cite: Top-down design of protein architectures with reinforcement learning. Science, 380, 2023
8F53	Top-down design of protein architectures with reinforcement learning Descriptor: RC_I_2 Authors: Borst, A.J, Baker, D. Deposit date: 2022-11-11 Release date: 2023-05-10 Last modified: 2024-06-19 Method: ELECTRON MICROSCOPY (2.93 Å) Cite: Top-down design of protein architectures with reinforcement learning. Science, 380, 2023
4H8O	Crystal structure of a parallel 6-helix coiled coil CC-Hex-N24 Descriptor: CC-Hex-N24 Authors: Chi, B, Zaccai, N.R, Brady, R.L, Woolfson, D.N. Deposit date: 2012-09-23 Release date: 2014-02-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.598 Å) Cite: TBA To be Published
4H8L	Crystal structure of a parallel 6-helix coiled coil CC-Hex-D24-A5/7C Descriptor: CC-Hex-D24-A5/7C Authors: Chi, B, Zaccai, N.R, Brady, R.L, Woolfson, D.N. Deposit date: 2012-09-23 Release date: 2014-02-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7501 Å) Cite: TBA J.Am.Chem.Soc.
1N0Q	3ANK: A designed ankyrin repeat protein with three identical consensus repeats Descriptor: 3 ankyrin repeats, trifluoroacetic acid Authors: Mosavi, L.K, Minor Jr, D.L, Peng, Z.-Y. Deposit date: 2002-10-14 Release date: 2003-01-28 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Consensus-derived structural determinants of the ankyrin repeat motif. Proc.Natl.Acad.Sci.USA, 99, 2002
8ERW	Precisely patterned nanofibers made from extendable protein multiplexes Descriptor: C2HR4_8r Authors: Bick, M.J, Parmeggiani, F, Bethel, N.P, Sankaran, B, Baker, D. Deposit date: 2022-10-12 Release date: 2023-08-23 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.88 Å) Cite: Precisely patterned nanofibres made from extendable protein multiplexes. Nat.Chem., 15, 2023
8EOZ	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	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	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
4HDG	Crystal Structure of viral RdRp in complex with GTP Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Polyprotein, ZINC ION Authors: Surana, P, Nair, D.T. Deposit date: 2012-10-02 Release date: 2013-12-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.38 Å) Cite: RNA-dependent RNA polymerase of Japanese encephalitis virus binds the initiator nucleotide GTP to form a mechanistically important pre-initiation state. Nucleic Acids Res., 42, 2014
4H8M	Crystal structure of a parallel 6-helix coiled coil CC-Hex-H24-A5/7C Descriptor: CC-Hex-H24-A5/7C Authors: Chi, B, Zaccai, N.R, Brady, R.L, Woolfson, D.N. Deposit date: 2012-09-23 Release date: 2014-02-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.4292 Å) Cite: TBD To be Published
7CCO	The binding structure of a lanthanide binding tag (LBT3) with lanthanum ion (La3+) Descriptor: LANTHANUM (III) ION, LBT3 Authors: Hatanaka, T, Kikkawa, N, Matsugami, A, Hosokawa, Y, Hayashi, F, Ishida, N. Deposit date: 2020-06-17 Release date: 2021-04-28 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: The origins of binding specificity of a lanthanide ion binding peptide. Sci Rep, 10, 2020
7CMJ	Crystal structure of L.donovani Hypoxanthine-guanine phosphoribosyl transferase (HGPRT) Descriptor: BARIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Parihar, P.S, Pratap, J.V. Deposit date: 2020-07-27 Release date: 2021-08-04 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.76 Å) Cite: The L.donovani Hypoxanthine-guanine phosphoribosyl transferase (HGPRT) oligomer is distinct from the human homolog. Biochem.Biophys.Res.Commun., 532, 2020
6JON	Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Primase Authors: Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. Deposit date: 2019-03-22 Release date: 2019-06-26 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.34 Å) Cite: Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity. Biochem.Biophys.Res.Commun., 515, 2019
4H8G	crystal structure of a parallel 6-helix coiled coil CC-Hex-IL- 22 Descriptor: CC-Hex-IL-22 Authors: Chi, B, Zaccai, N.R, Brady, R.L, Woolfson, D.N. Deposit date: 2012-09-22 Release date: 2014-02-05 Method: X-RAY DIFFRACTION (1.699 Å) Cite: TBA J.Am.Chem.Soc.
6JOP	Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity Descriptor: MAGNESIUM ION, Primase, THYMIDINE-5'-TRIPHOSPHATE Authors: Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. Deposit date: 2019-03-22 Release date: 2019-06-26 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.353 Å) Cite: Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity. Biochem.Biophys.Res.Commun., 515, 2019
7CCN	The binding structure of a lanthanide binding tag (LBT3) with lutetium ion (Lu3+) Descriptor: LBT3, LUTETIUM (III) ION Authors: Hatanaka, T, Kikkawa, N, Matsugami, A, Hosokawa, Y, Hayashi, F, Ishida, N. Deposit date: 2020-06-17 Release date: 2021-04-28 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: The origins of binding specificity of a lanthanide ion binding peptide. Sci Rep, 10, 2020
4KGS	Backbone Modifications in the Protein GB1 Loops: beta-3-Val21, beta-3-Asp40 Descriptor: GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Val21, beta-3-Asp40 Authors: Reinert, Z.E, Lengyel, G.A, Horne, W.S. Deposit date: 2013-04-29 Release date: 2013-09-04 Last modified: 2024-07-10 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Protein-like Tertiary Folding Behavior from Heterogeneous Backbones. J.Am.Chem.Soc., 135, 2013
4KGR	Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35 Descriptor: GLYCEROL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Ala24, beta-3-Lys28, ... Authors: Reinert, Z.E, Lengyel, G.A, Horne, W.S. Deposit date: 2013-04-29 Release date: 2013-09-04 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Protein-like Tertiary Folding Behavior from Heterogeneous Backbones. J.Am.Chem.Soc., 135, 2013
4KGT	Backbone Modifications in the Protein GB1 Turns: Aib10, D-Pro47 Descriptor: Streptococcal Protein GB1 Backbone Modified Variant: Aib10, D-Pro47 Authors: Reinert, Z.E, Lengyel, G.A, Horne, W.S. Deposit date: 2013-04-29 Release date: 2013-09-04 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Protein-like Tertiary Folding Behavior from Heterogeneous Backbones. J.Am.Chem.Soc., 135, 2013
4KYV	Crystal Structure of dehalogenase HaloTag2 with HALTS at the resolution 1.8A. Northeast Structural Genomics Consortium (NESG) Target OR150 Descriptor: N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine, SODIUM ION, dehalogenase HaloTag2 Authors: Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) Deposit date: 2013-05-29 Release date: 2013-07-24 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.796 Å) Cite: Northeast Structural Genomics Consortium Target OR150 To be Published
4KUP	Endothiapepsin in complex with 20mM acylhydrazone inhibitor Descriptor: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Radeva, N, Heine, A, Klebe, G. Deposit date: 2013-05-22 Release date: 2014-04-02 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.311 Å) Cite: Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry. Angew.Chem.Int.Ed.Engl., 53, 2014

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