1P7G
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![BU of 1p7g by Molmil](/molmil-images/mine/1p7g) | Crystal structure of superoxide dismutase from Pyrobaculum aerophilum | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, Superoxide dismutase | Authors: | Lee, S, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2003-05-01 | Release date: | 2003-12-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of superoxide dismutase from Pyrobaculum aerophilum presents a challenging case in molecular replacement with multiple molecules, pseudo-symmetry and twinning. Acta Crystallogr.,Sect.D, 59, 2003
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7POQ
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![BU of 7poq by Molmil](/molmil-images/mine/7poq) | Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with foliosidine in P41212. | Descriptor: | 1,2-ETHANEDIOL, BFT-3, CHLORIDE ION, ... | Authors: | Eckhard, U, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2021-09-09 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis. Protein Sci., 31, 2022
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8TRO
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![BU of 8tro by Molmil](/molmil-images/mine/8tro) | Rod from high-resolution phycobilisome quenched by OCP (local refinement) | Descriptor: | C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN, ... | Authors: | Sauer, P.V, Sutter, M, Cupellini, L. | Deposit date: | 2023-08-09 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes. Sci Adv, 10, 2024
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7K9M
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![BU of 7k9m by Molmil](/molmil-images/mine/7k9m) | Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine | Descriptor: | 5'-O-(L-phenylalanylsulfamoyl)adenosine, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation. Nucleic Acids Res., 49, 2021
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7KCN
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![BU of 7kcn by Molmil](/molmil-images/mine/7kcn) | Reconstructed ancestor of HIUases and Transthyretins | Descriptor: | 1,2-ETHANEDIOL, HIUase-TTR ancestor, PHOSPHATE ION | Authors: | Nagem, R.A.P, Bleicher, L, Costa, M.A.F. | Deposit date: | 2020-10-06 | Release date: | 2021-05-19 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Reenacting the Birth of a Function: Functional Divergence of HIUases and Transthyretins as Inferred by Evolutionary and Biophysical Studies. J.Mol.Evol., 89, 2021
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5CAL
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![BU of 5cal by Molmil](/molmil-images/mine/5cal) | EGFR kinase domain mutant "TMLR" with compound 24 | Descriptor: | 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide, Epidermal growth factor receptor | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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8TFF
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![BU of 8tff by Molmil](/molmil-images/mine/8tff) | PorX with BeF3 phosphate analog | Descriptor: | ACETATE ION, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ... | Authors: | Saran, A, Zeytuni, N. | Deposit date: | 2023-07-11 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | PorX with BeF3 phosphate analog To Be Published
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7JXX
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![BU of 7jxx by Molmil](/molmil-images/mine/7jxx) | Structure of TTBK1 kinase domain in complex with Compound 3 | Descriptor: | 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, SODIUM ION, Tau-tubulin kinase 1 | Authors: | Chodaprambil, J.V. | Deposit date: | 2020-08-28 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo. J.Med.Chem., 64, 2021
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4MHI
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![BU of 4mhi by Molmil](/molmil-images/mine/4mhi) | Crystal structure of a H5N1 influenza virus hemagglutinin from A/goose/Guangdong/1/96 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2013-08-29 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | A Unique and Conserved Neutralization Epitope in H5N1 Influenza Viruses Identified by an Antibody against the A/Goose/Guangdong/1/96 Hemagglutinin. J.Virol., 87, 2013
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5CAX
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![BU of 5cax by Molmil](/molmil-images/mine/5cax) | CRYSTAL STRUCTURE OF METHANOSARCINA ACETIVORANS METHANOREDOXIN | Descriptor: | ACETIC ACID, CADMIUM ION, Glutaredoxin, ... | Authors: | Yennawar, N.H, Yennawar, H.P, Ferry, G.J. | Deposit date: | 2015-06-30 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | Structural and Biochemical Characterizations of Methanoredoxin from Methanosarcina acetivorans, a Glutaredoxin-Like Enzyme with Coenzyme M-Dependent Protein Disulfide Reductase Activity. Biochemistry, 55, 2016
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4M4S
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![BU of 4m4s by Molmil](/molmil-images/mine/4m4s) | Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in complex with GDP and formate ion mimic aIF2gamma*GDP*Pi complex (a formate ion substitutes for Pi) | Descriptor: | FORMIC ACID, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Nikonov, O.S, Stolboushkina, E.A, Arkhipova, V.I, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V. | Deposit date: | 2013-08-07 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2. Acta Crystallogr.,Sect.D, 70, 2014
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5C0C
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![BU of 5c0c by Molmil](/molmil-images/mine/5c0c) | 1E6 TCR in complex with HLA-A02 carrying RQFGPDWIVA | Descriptor: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.974 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5F5W
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![BU of 5f5w by Molmil](/molmil-images/mine/5f5w) | |
8TED
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![BU of 8ted by Molmil](/molmil-images/mine/8ted) | |
3F1A
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![BU of 3f1a by Molmil](/molmil-images/mine/3f1a) | |
3AC0
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![BU of 3ac0 by Molmil](/molmil-images/mine/3ac0) | Crystal structure of Beta-glucosidase from Kluyveromyces marxianus in complex with glucose | Descriptor: | Beta-glucosidase I, beta-D-glucopyranose | Authors: | Yoshida, E, Hidaka, M, Fushinobu, S, Katayama, T, Kumagai, H. | Deposit date: | 2009-12-25 | Release date: | 2010-08-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Role of a PA14 domain in determining substrate specificity of a glycoside hydrolase family 3 beta-glucosidase from Kluyveromyces marxianus. Biochem.J., 431, 2010
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5F77
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![BU of 5f77 by Molmil](/molmil-images/mine/5f77) | Crystal structure of Mutant S12T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Adenine | Descriptor: | ADENINE, Methylthioadenosine phosphorylase, SULFATE ION | Authors: | Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M. | Deposit date: | 2015-12-07 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway. PLoS Negl Trop Dis, 10, 2016
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7PJM
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![BU of 7pjm by Molmil](/molmil-images/mine/7pjm) | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. | Deposit date: | 2021-08-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
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5F12
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![BU of 5f12 by Molmil](/molmil-images/mine/5f12) | WrbA in complex with FMN under crystallization conditions of WrbA-FMN-BQ structure (4YQE) | Descriptor: | FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone) | Authors: | Degtjarik, O, Brynda, J, Ettrichova, O, Kuta Smatanova, I, Carey, J, Ettrich, R. | Deposit date: | 2015-11-29 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA. J.Phys.Chem.B, 120, 2016
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7Q5D
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![BU of 7q5d by Molmil](/molmil-images/mine/7q5d) | Structure of EPCR in a non-canonical conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Endothelial protein C receptor, ... | Authors: | Lopez-Sagaseta, J, Erausquin, E. | Deposit date: | 2021-11-03 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of EPCR in a non-canonical conformation Biorxiv, 2021
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2DGN
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![BU of 2dgn by Molmil](/molmil-images/mine/2dgn) | Mouse Muscle Adenylosuccinate Synthetase partially ligated complex with GTP, 2'-deoxy-IMP | Descriptor: | 9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-9H-PURINE, Adenylosuccinate synthetase isozyme 1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Iancu, C.V, Zhou, Y, Borza, T, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2006-03-15 | Release date: | 2006-09-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cavitation as a mechanism of substrate discrimination by adenylosuccinate synthetases. Biochemistry, 45, 2006
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5EVY
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![BU of 5evy by Molmil](/molmil-images/mine/5evy) | Salicylate hydroxylase substrate complex | Descriptor: | 2-HYDROXYBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Salicylate hydroxylase | Authors: | Morimoto, Y, Uemura, T. | Deposit date: | 2015-11-20 | Release date: | 2015-12-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | The catalytic mechanism of decarboxylative hydroxylation of salicylate hydroxylase revealed by crystal structure analysis at 2.5 angstrom resolution Biochem.Biophys.Res.Commun., 469, 2016
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5C22
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![BU of 5c22 by Molmil](/molmil-images/mine/5c22) | Crystal structure of Zn-bound HlyD from E. coli | Descriptor: | Chromosomal hemolysin D, ZINC ION | Authors: | Ha, N.C, Kim, J.S. | Deposit date: | 2015-06-15 | Release date: | 2016-02-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Crystal Structure of a Soluble Fragment of the Membrane Fusion Protein HlyD in a Type I Secretion System of Gram-Negative Bacteria Structure, 24, 2016
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8TQD
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![BU of 8tqd by Molmil](/molmil-images/mine/8tqd) | NF-Kappa-B1 Bound with a Covalent Inhibitor | Descriptor: | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit | Authors: | Hilbert, B.J. | Deposit date: | 2023-08-07 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell, 187, 2024
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5C07
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![BU of 5c07 by Molmil](/molmil-images/mine/5c07) | 1E6 TCR in complex with HLA-A02 carrying YQFGPDFPIA | Descriptor: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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