7WMZ
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7BVV
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![BU of 7bvv by Molmil](/molmil-images/mine/7bvv) | Crystal structure of sulfonic peroxiredoxin Ahp1 in complex with thioredoxin Trx2 | Descriptor: | Peroxiredoxin AHP1, Thioredoxin-2 | Authors: | Lian, F.M, Jiang, Y.L, Yang, W, Yang, X. | Deposit date: | 2020-04-11 | Release date: | 2020-07-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of sulfonic peroxiredoxin Ahp1 in complex with thioredoxin Trx2 mimics a conformational intermediate during the catalytic cycle. Int.J.Biol.Macromol., 161, 2020
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6VZX
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![BU of 6vzx by Molmil](/molmil-images/mine/6vzx) | Structure of a Covalently Captured Collagen Triple Helix using Lysine-Glutamate Pairs | Descriptor: | collagen mimetic peptide | Authors: | Miller, M.D, Hulgan, S.A, Xu, W, Kosgei, A.J, Phillips Jr, G.N, Hartgerink, J.D. | Deposit date: | 2020-02-28 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Covalent Capture of Collagen Triple Helices Using Lysine-Aspartate and Lysine-Glutamate Pairs. Biomacromolecules, 21, 2020
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5FTF
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![BU of 5ftf by Molmil](/molmil-images/mine/5ftf) | Crystal structure of Pif1 helicase from Bacteroides double mutant L95C-I339C | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TPR DOMAIN PROTEIN | Authors: | Chen, W.-F, Dai, Y.-X, Duan, X.-L, Liu, N.-N, Shi, W, Li, M, Dou, S.-X, Li, N, Dong, Y.-H, Rety, S, Xi, X.-G. | Deposit date: | 2016-01-13 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.412 Å) | Cite: | Crystal Structures of the Bspif1 Helicase Reveal that a Major Movement of the 2B SH3 Domain is Required for DNA Unwinding Nucleic Acids Res., 44, 2016
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6W52
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![BU of 6w52 by Molmil](/molmil-images/mine/6w52) | Prefusion RSV F bound by neutralizing antibody RSB1 | Descriptor: | Fusion glycoprotein F0, Fusion glycoprotein F1 fused with Fibritin trimerization domain, RSB1 Fab Heavy Chain, ... | Authors: | Harshbarger, W, Chandramouli, S, Malito, M. | Deposit date: | 2020-03-12 | Release date: | 2020-11-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.74 Å) | Cite: | Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F. Plos Pathog., 16, 2020
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5FKK
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![BU of 5fkk by Molmil](/molmil-images/mine/5fkk) | TetR(D) N82A mutant in complex with anhydrotetracycline and magnesium | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Werten, S, Schneider, J, Palm, G.J, Hinrichs, W. | Deposit date: | 2015-10-17 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Modular Organisation of Inducer Recognition and Allostery in the Tetracycline Repressor FEBS J., 283, 2016
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5GLH
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![BU of 5glh by Molmil](/molmil-images/mine/5glh) | Human endothelin receptor type-B in complex with ET-1 | Descriptor: | Endothelin Receptor Subtype-B, Peptide from Endothelin-1 | Authors: | Shihoya, W, Nishizawa, T, Okuta, A, Tani, K, Fujiyoshi, Y, Dohmae, N, Nureki, O, Doi, T. | Deposit date: | 2016-07-11 | Release date: | 2016-09-07 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Activation mechanism of endothelin ETB receptor by endothelin-1. Nature, 537, 2016
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5GTX
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![BU of 5gtx by Molmil](/molmil-images/mine/5gtx) | Crystal structure of mutated buckwheat glutaredoxin | Descriptor: | buckwheat glutaredoxin | Authors: | Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H. | Deposit date: | 2016-08-23 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity J. Inorg. Biochem., 173, 2017
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3NCQ
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![BU of 3ncq by Molmil](/molmil-images/mine/3ncq) | GlnK2 from Archaeoglobus fulgidus, ATP complex | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A. | Deposit date: | 2010-06-05 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus. J.Mol.Biol., 402, 2010
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5GNY
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![BU of 5gny by Molmil](/molmil-images/mine/5gny) | The structure of WT Bgl6 | Descriptor: | Beta-glucosidase, beta-D-glucopyranose | Authors: | Xie, W, Pang, P, Cao, L.C, Liu, Y.H, Wang, Z. | Deposit date: | 2016-07-25 | Release date: | 2017-04-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Structures of a glucose-tolerant beta-glucosidase provide insights into its mechanism. J. Struct. Biol., 198, 2017
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7AAY
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![BU of 7aay by Molmil](/molmil-images/mine/7aay) | Crystal structure of MerTK kinase domain in complex with Merestinib | Descriptor: | CHLORIDE ION, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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7AB2
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![BU of 7ab2 by Molmil](/molmil-images/mine/7ab2) | Crystal structure of MerTK kinase domain in complex with UNC2025 | Descriptor: | 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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6ZQI
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![BU of 6zqi by Molmil](/molmil-images/mine/6zqi) | Cryo-EM structure of Spondweni virus prME | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein | Authors: | Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M. | Deposit date: | 2020-07-09 | Release date: | 2021-01-20 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins. Nat Commun, 12, 2021
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5GWY
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![BU of 5gwy by Molmil](/molmil-images/mine/5gwy) | Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design | Descriptor: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, main protease | Authors: | Wang, F, Chen, C, Tan, W, Yang, K, Yang, H. | Deposit date: | 2016-09-14 | Release date: | 2017-09-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.852 Å) | Cite: | Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design. Sci Rep, 6, 2016
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5GX7
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![BU of 5gx7 by Molmil](/molmil-images/mine/5gx7) | Crystal structure of solute-binding protein complexed with unsaturated chondroitin disaccharide with a sulfate group at C-6 position of GalNAc | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose, CALCIUM ION, Extracellular solute-binding protein family 1 | Authors: | Oiki, S, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2016-09-15 | Release date: | 2017-07-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | A bacterial ABC transporter enables import of mammalian host glycosaminoglycans Sci Rep, 7, 2017
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1RJA
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5H1L
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![BU of 5h1l by Molmil](/molmil-images/mine/5h1l) | Crystal structure of WD40 repeat domains of Gemin5 in complex with 7-nt U4 snRNA fragment | Descriptor: | GLYCEROL, Gem-associated protein 5, U4 snRNA (5'-R(*AP*UP*UP*UP*UP*UP*G)-3') | Authors: | Jin, W, Wang, Y, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M. | Deposit date: | 2016-10-10 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5 Genes Dev., 30, 2016
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7AB1
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![BU of 7ab1 by Molmil](/molmil-images/mine/7ab1) | Crystal structure of MerTK kinase domain in complex with Gilteritinib | Descriptor: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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7A17
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![BU of 7a17 by Molmil](/molmil-images/mine/7a17) | Crystal structure of the 5-phosphatase domain of Synaptojanin1 bound to its substrate diC8-PI(3,4,5)P3 in complex with a nanobody | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, GLYCEROL, Isoform 2 of Synaptojanin-1, ... | Authors: | Paesmans, J, Galicia, C, Martin, E, Versees, W. | Deposit date: | 2020-08-12 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations. Elife, 9, 2020
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7C0N
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![BU of 7c0n by Molmil](/molmil-images/mine/7c0n) | Crystal structure of a self-assembling galactosylated peptide homodimer | Descriptor: | SULFATE ION, Self-assembling galactosylated tyrosine-rich peptide, beta-D-galactopyranose | Authors: | He, C, Wu, S, Chi, C, Zhang, W, Ma, M, Lai, L, Dong, S. | Deposit date: | 2020-05-01 | Release date: | 2020-10-07 | Last modified: | 2020-10-21 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | Glycopeptide Self-Assembly Modulated by Glycan Stereochemistry through Glycan-Aromatic Interactions. J.Am.Chem.Soc., 142, 2020
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5GSX
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![BU of 5gsx by Molmil](/molmil-images/mine/5gsx) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-2 | Descriptor: | 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-17 | Release date: | 2017-06-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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4PNJ
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![BU of 4pnj by Molmil](/molmil-images/mine/4pnj) | Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Cohen, A, Gonzalez, A, Lam, W, Lyubimov, A, Sauter, N, Tsai, Y, Uervirojnangkoorn, M, Brunger, A, Soltis, M. | Deposit date: | 2014-05-23 | Release date: | 2014-11-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Goniometer-based femtosecond crystallography with X-ray free electron lasers. Proc.Natl.Acad.Sci.USA, 111, 2014
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7BQW
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6UJU
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![BU of 6uju by Molmil](/molmil-images/mine/6uju) | Structure of the HIV-1 gp41 transmembrane domain and cytoplasmic tail (LLP2) | Descriptor: | Envelope glycoprotein GP41 | Authors: | Piai, A, Fu, Q, Cai, Y, Ghantous, F, Xiao, T, Shaik, M.M, Peng, H, Rits-Volloch, S, Liu, Z, Chen, W, Seaman, M.S, Chen, B, Chou, J.J. | Deposit date: | 2019-10-03 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis of transmembrane coupling of the HIV-1 envelope glycoprotein. Nat Commun, 11, 2020
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4PIN
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![BU of 4pin by Molmil](/molmil-images/mine/4pin) | Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine | Descriptor: | Histidine-specific methyltransferase EgtD, N,N-dimethyl-L-histidine, PHOSPHATE ION | Authors: | Vit, A, Seebeck, F.P, Blankenfeldt, W. | Deposit date: | 2014-05-09 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis. Chembiochem, 16, 2015
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