8E4K
 
 | | Co-crystal structure of Chaetomium glucosidase with compound 7 | | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2022-08-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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8EB1
 | | Chim2 - Intragenic antimicrobial peptide | | Descriptor: | Unconventional myosin-Ih, Transcription activator BRG1 intragenic antimicrobial chimeric peptide | | Authors: | de Freitas, T.V, Oliveira, A.L, Santos, M.A, Brand, G.D. | | Deposit date: | 2022-08-30 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Release of immunomodulatory peptides at bacterial membrane interfaces as a novel strategy to fight microorganisms.
J.Biol.Chem., 299, 2023
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7P8V
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6OST
 | | RF2 pre-accommodated state bound Release complex 70S at 24ms | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J. | | Deposit date: | 2019-05-02 | | Release date: | 2019-06-19 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
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6ON2
 | | Lon Protease from Yersinia pestis with Y2853 substrate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent protease La, ... | | Authors: | Shin, M, Asmita, A, Puchades, C, Adjei, E, Wiseman, R.L, Karzai, A.W, Lander, G.C. | | Deposit date: | 2019-04-19 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for distinct operational modes and protease activation in AAA+ protease Lon.
Sci Adv, 6, 2020
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6ZW0
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7MWN
 | | An engineered PYL2-based WIN 55,212-2 synthetic cannabinoid sensor with a stabilized HAB1 variant | | Descriptor: | ACETATE ION, Abscisic acid receptor PYL2, CHLORIDE ION, ... | | Authors: | Peterson, F.C, Beltran, J, Bedewitz, M, Steiner, P.J, Cutler, S.R, Whitehead, T.A. | | Deposit date: | 2021-05-17 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Rapid biosensor development using plant hormone receptors as reprogrammable scaffolds.
Nat.Biotechnol., 40, 2022
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7A8U
 | | Crystal structure of sarcomeric protein FATZ-1 (d91-FATZ-1 construct) in complex with rod domain of alpha-actinin-2 | | Descriptor: | Alpha-actinin-2, Myozenin-1 | | Authors: | Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.802 Å) | | Cite: | Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
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6O8O
 | | Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus. | | Descriptor: | CHLORIDE ION, SULFATE ION, Transcriptional regulator, ... | | Authors: | Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. | | Deposit date: | 2019-03-11 | | Release date: | 2020-04-01 | | Last modified: | 2020-12-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
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6ZQK
 | | HER2-binding scFv-Fab fusion 841 | | Descriptor: | 1,2-ETHANEDIOL, 841 heavy chain, 841 light chain | | Authors: | Kast, F, Schwill, M, Stueber, J.C, Pfundstein, S, Nagy-Davidescu, G, Monne Rodriguez, J.M, Seehusen, F, Richter, C.P, Honegger, A, Hartmann, K.P, Weber, T.G, Kroener, F, Ernst, P, Piehler, J, Plueckthun, A. | | Deposit date: | 2020-07-09 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Engineering an anti-HER2 biparatopic antibody with a multimodal mechanism of action.
Nat Commun, 12, 2021
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6MCD
 | | Crystal Structure of tris-thiolate Pb(II) complex with adjacent water in a de novo Three Stranded Coiled Coil Peptide | | Descriptor: | LEAD (II) ION, Pb(II)(GRAND Coil Ser L12CL16A)-, ZINC ION | | Authors: | Tolbert, A.E, Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2018-08-31 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Heteromeric three-stranded coiled coils designed using a Pb(II)(Cys)3template mediated strategy.
Nat.Chem., 12, 2020
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7P4K
 | | Soluble epoxide hydrolase in complex with FL217 | | Descriptor: | Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide | | Authors: | Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-11 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
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6MCX
 | | INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) RECOMBINANT HEAD DOMAIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Streltsov, V.A, Schmidt, P, McKimm-Breschkin, J. | | Deposit date: | 2018-09-02 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk.
Acta Crystallogr.,Sect.F, 75, 2019
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6O9V
 | | KirBac3.1 mutant at a resolution of 3.1 Angstroms | | Descriptor: | 1,1-Methanediyl Bismethanethiosulfonate, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Inward rectifier potassium channel Kirbac3.1, ... | | Authors: | Gulbis, J.M, Black, K.A, Miller, D.M. | | Deposit date: | 2019-03-15 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.094 Å) | | Cite: | A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020
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6O9Z
 | | Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to eukaryotic translation initiation factor 2 from Homo sapiens | | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | | Authors: | Nguyen, H.C, Kenner, L.R, Frost, A.S. | | Deposit date: | 2019-03-15 | | Release date: | 2019-05-15 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response.
Science, 364, 2019
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6WZS
 | | Fusibacterium ulcerans ZTP riboswitch bound to m-1-pyridinyl AICA | | Descriptor: | 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide, Fusibacterium ulcerans ZTP riboswitch, MAGNESIUM ION, ... | | Authors: | Pichling, P, Jones, C.P, Ferre-D'Amare, A.R, Tran, B. | | Deposit date: | 2020-05-14 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Parallel Discovery Strategies Provide a Basis for Riboswitch Ligand Design.
Cell Chem Biol, 27, 2020
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7A8T
 | | Crystal structure of sarcomeric protein FATZ-1 (mini-FATZ-1 construct) in complex with rod domain of alpha-actinin-2 | | Descriptor: | Alpha-actinin-2, Myozenin-1 | | Authors: | Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
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6WZR
 | | Fusibacterium ulcerans ZTP riboswitch bound to p-1-pyridinyl AICA | | Descriptor: | 5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide, Fusibacterium ulcerans ZTP riboswitch, MAGNESIUM ION, ... | | Authors: | Pichling, P, Jones, C.P, Ferre-D'Amare, A.R, Tran, B. | | Deposit date: | 2020-05-14 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Parallel Discovery Strategies Provide a Basis for Riboswitch Ligand Design.
Cell Chem Biol, 27, 2020
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6OFQ
 | | ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori in complex with peptide STSA | | Descriptor: | Heme-binding protein A / AI-2 binding protein A, SER-THR-SER-ALA | | Authors: | Rahman, M.M, Machuca, M.A, Khan, M.F, Barlow, C.K, Schittenhelm, R.B, Roujeinikova, A. | | Deposit date: | 2019-03-31 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular Basis of Unexpected Specificity of ABC Transporter-Associated Substrate-Binding Protein DppA from Helicobacter pylori.
J.Bacteriol., 201, 2019
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7OXU
 | | VDR complex - calcitroic acid | | Descriptor: | Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor A, calcitroic acid | | Authors: | Rochel, N, Arnold, L.A. | | Deposit date: | 2021-06-23 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | VDR complex - calcitroic acid
To Be Published
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6OKD
 | | Crystal Structure of human transferrin receptor in complex with a cystine-dense peptide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Finton, K.A.K, Rupert, P.B, Strong, R.K. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules.
J.Mol.Biol., 432, 2020
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7A00
 | | Crystal structure of Shank1 PDZ in complex with L6F mutant of the C-terminal hexapeptide from GKAP | | Descriptor: | L6F mutant of C-terminal hexapeptide from Guanylate kinase-associated protein, SH3 and multiple ankyrin repeat domains protein 1 | | Authors: | Zsofia, H, Hetherington, K, Fruzsina, H, Edwards, T.A, Wilson, A.J. | | Deposit date: | 2020-08-05 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Query-guided protein-protein interaction inhibitor discovery.
Chem Sci, 12, 2021
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6O5T
 | | Crystal Structure of VIM-2 with Compound 16 | | Descriptor: | ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ... | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2019-03-04 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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8E84
 | | Human PCNA mutant- C148S | | Descriptor: | Proliferating cell nuclear antigen | | Authors: | Magrino, J, Page, B, Gaubitz, C, Kelch, B.A. | | Deposit date: | 2022-08-25 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A thermosensitive PCNA allele underlies an ataxia-telangiectasia-like disorder.
J.Biol.Chem., 299, 2023
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6OR7
 | | Structure of HIV-1 Reverse Transcriptase (RT) in complex with DNA AND (-)FTC-TP | | Descriptor: | DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ... | | Authors: | Bertoletti, N, Chan, A.H, Anderson, K.S. | | Deposit date: | 2019-04-29 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
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