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5BS6
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BU of 5bs6 by Molmil
Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI
Descriptor: 1,2-ETHANEDIOL, transcriptional regulator AraR
Authors:Chang, C, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-06-01
Release date:2015-06-17
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
7E0B
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BU of 7e0b by Molmil
The crystal structure of sorting nexin 27 and PBM complex
Descriptor: PBM, Sorting nexin-27
Authors:Shang, G.J, Qi, J.X.
Deposit date:2021-01-27
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:SNX27 suppresses SARS-CoV-2 infection by inhibiting viral lysosome/late endosome entry.
Proc.Natl.Acad.Sci.USA, 119, 2022
7FCV
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BU of 7fcv by Molmil
Cryo-EM structure of the Potassium channel AKT1 mutant from Arabidopsis thaliana
Descriptor: PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, Potassium channel AKT1
Authors:Yang, G.H, Lu, Y.M, Jia, Y.T, Zhang, Y.M, Tang, R.F, Xu, X, Li, X.M, Lei, J.L.
Deposit date:2021-07-15
Release date:2022-11-09
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis.
Nat Commun, 13, 2022
4EYC
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BU of 4eyc by Molmil
Crystal structure of the cathelin-like domain of human cathelicidin LL-37 (hCLD)
Descriptor: Cathelicidin antimicrobial peptide
Authors:Pazgier, M, Pozharski, E, Toth, E, Lu, W.
Deposit date:2012-05-01
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Analysis of the Pro-Domain of Human Cathelicidin, LL-37.
Biochemistry, 52, 2013
7X6Z
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BU of 7x6z by Molmil
TRIM7 in complex with C-terminal peptide of NSP12
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7X70
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BU of 7x70 by Molmil
TRIM7 in complex with C-terminal peptide of NSP8
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
5EB9
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BU of 5eb9 by Molmil
Crystal Structure Of Chicken CD8aa Homodimer
Descriptor: CD8 alpha chain
Authors:Liu, Y.J, Qi, J.X, Xia, C.
Deposit date:2015-10-18
Release date:2016-09-14
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species.
Sci Rep, 6, 2016
7X6Y
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BU of 7x6y by Molmil
TRIM7 in complex with C-terminal peptide of NSP5
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
6L5Z
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BU of 6l5z by Molmil
Crystal strucutre of AF9 YEATS domain in complex with a cyclopeptide inhibitor
Descriptor: Protein AF-9, SC0-ALO-ALA-SC3-SC4-NH2
Authors:Li, Y, Chen, G, Li, H.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Selective Targeting of AF9 YEATS Domain by Cyclopeptide Inhibitors with Preorganized Conformation.
J.Am.Chem.Soc., 142, 2020
4GEE
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BU of 4gee by Molmil
Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL
Authors:Bensen, D.C, Chen, Z, Tari, L.W.
Deposit date:2012-08-01
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4GFN
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BU of 4gfn by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic
Descriptor: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL
Authors:Bensen, D.C, Trzoss, M, Tari, L.W.
Deposit date:2012-08-03
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
8I8F
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BU of 8i8f by Molmil
Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1
Descriptor: (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION
Authors:Shi, X, Liu, W.
Deposit date:2023-02-04
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
5TSR
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BU of 5tsr by Molmil
Crystal structure of PRL-3 phosphatase in complex with the Bateman domain of CNNM3 magnesium transporter
Descriptor: Metal transporter CNNM3, Protein tyrosine phosphatase type IVA 3
Authors:Kozlov, G, Zhang, H, Gehring, K.
Deposit date:2016-10-31
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.188 Å)
Cite:PRL3 phosphatase active site is required for binding the putative magnesium transporter CNNM3.
Sci Rep, 7, 2017
3ONJ
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BU of 3onj by Molmil
Crystal structure of yeast Vti1p_Habc domain
Descriptor: t-SNARE VTI1
Authors:Wang, J, Fang, P, Niu, L, Teng, M.
Deposit date:2010-08-29
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Epsin N-terminal homology domains bind on opposite sides of two SNAREs
Proc.Natl.Acad.Sci.USA, 108, 2011
8JBV
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BU of 8jbv by Molmil
Extracellular domain of gamma delta TCR
Descriptor: T cell receptor delta variable 1,T cell receptor delta constant, T cell receptor gamma variable 5,T cell receptor gamma constant 1
Authors:Xin, W, Chi, X, Huang, B, Su, Q, Zhou, Q.
Deposit date:2023-05-09
Release date:2024-05-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
5UN6
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BU of 5un6 by Molmil
Frizzled-8 complex with designed surrogate Wnt agonist, A1 dataset
Descriptor: Designed Wnt agonist B12, Frizzled-8
Authors:Janda, C.Y, Garcia, K.C, Jude, K.M.
Deposit date:2017-01-30
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Surrogate Wnt agonists that phenocopy canonical Wnt and beta-catenin signalling.
Nature, 545, 2017
8EE1
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BU of 8ee1 by Molmil
KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment AA5
Descriptor: 6-deoxyerythronolide B synthase, AA5 antibody heavy chain, AA5 antibody light chain
Authors:Cogan, D.P, Brodsky, K.L, Guzman, K.M, Mathews, I.I, Khosla, C.
Deposit date:2022-09-06
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Characterization of Antibody Probes of Module 2 of the 6-Deoxyerythronolide B Synthase.
Biochemistry, 62, 2023
5V47
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BU of 5v47 by Molmil
Crystal structure of the SR1 domain of lizard sacsin
Descriptor: Lizard sacsin, SULFATE ION
Authors:Pan, T, Menade, M, Kozlov, G, Gehring, K.
Deposit date:2017-03-08
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
8EE0
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BU of 8ee0 by Molmil
KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment 1B2
Descriptor: 1B2 antibody heavy chain, 1B2 antibody light chain, 6-deoxyerythronolide B synthase
Authors:Cogan, D.P, Brodsky, K.L, Guzman, K.M, Mathews, I.I, Khosla, C.
Deposit date:2022-09-06
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and Characterization of Antibody Probes of Module 2 of the 6-Deoxyerythronolide B Synthase.
Biochemistry, 62, 2023
5UN5
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BU of 5un5 by Molmil
Frizzled-8 complex with designed surrogate Wnt agonist, crystal form 1
Descriptor: Designed Wnt agonist B12, Frizzled-8
Authors:Janda, C.Y, Garcia, K.C.
Deposit date:2017-01-30
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:Surrogate Wnt agonists that phenocopy canonical Wnt and beta-catenin signalling.
Nature, 545, 2017
5V7Q
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BU of 5v7q by Molmil
Cryo-EM structure of the large ribosomal subunit from Mycobacterium tuberculosis bound with a potent linezolid analog
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Yang, K, Chang, J.-Y, Cui, Z, Zhang, J.
Deposit date:2017-03-20
Release date:2017-09-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis.
Nucleic Acids Res., 45, 2017
8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-18
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8D04
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BU of 8d04 by Molmil
Hallucinated C2 protein assembly HALC2_062
Descriptor: HALC2_062
Authors:Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
Deposit date:2022-05-25
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Hallucinating symmetric protein assemblies.
Science, 378, 2022

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