6QA0
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![BU of 6qa0 by Molmil](/molmil-images/mine/6qa0) | MSRB3 - AA 1-137 | Descriptor: | CHLORIDE ION, Methionine-R-sulfoxide reductase B3, SULFATE ION, ... | Authors: | Javitt, G, Fass, D. | Deposit date: | 2018-12-18 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.709 Å) | Cite: | Structure and Electron-Transfer Pathway of the Human Methionine Sulfoxide Reductase MsrB3. Antioxid.Redox Signal., 33, 2020
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7SXN
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![BU of 7sxn by Molmil](/molmil-images/mine/7sxn) | Orb2A residues 1-9 MYNKFVNFI | Descriptor: | Orb2A residues 1-9 MYNKFVNFI | Authors: | Bowler, J.T, Sawaya, M.R, Boyer, D.R, Cascio, D, Eisenberg, D.S. | Deposit date: | 2021-11-23 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | ELECTRON CRYSTALLOGRAPHY (1.05 Å) | Cite: | Micro-electron diffraction structure of the aggregation-driving N terminus of Drosophila neuronal protein Orb2A reveals amyloid-like beta-sheets. J.Biol.Chem., 298, 2022
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6QAB
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![BU of 6qab by Molmil](/molmil-images/mine/6qab) | Human Butyrylcholinesterase in complex with (S)-N-(1-((2-cycloheptylethyl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-N,N-dimethylbutan-1-aminium | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease. Chem.Commun.(Camb.), 55, 2019
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6QAQ
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![BU of 6qaq by Molmil](/molmil-images/mine/6qaq) | ERK2 mini-fragment binding | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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1YJ1
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![BU of 1yj1 by Molmil](/molmil-images/mine/1yj1) | X-ray Crystal Structure of a Chemically Synthesized [D-Gln35]Ubiquitin | Descriptor: | CADMIUM ION, CHLORIDE ION, Ubiquitin | Authors: | Bang, D, Makhatadze, G.I, Tereshko, V, Kossiakoff, A.A, Kent, S.B. | Deposit date: | 2005-01-13 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | X-ray Crystal Structure of a Chemically Synthesized [D-Gln35]Ubiquitin Angew.Chem.Int.Ed.Engl., 44, 2005
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1YJE
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![BU of 1yje by Molmil](/molmil-images/mine/1yje) | Crystal structure of the rNGFI-B ligand-binding domain | Descriptor: | Orphan nuclear receptor NR4A1 | Authors: | Flaig, R, Greschik, H, Peluso-Iltis, C, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2005-01-14 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the cell-specific activities of the NGFI-B and the Nurr1 ligand-binding domain. J.Biol.Chem., 280, 2005
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1X6M
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![BU of 1x6m by Molmil](/molmil-images/mine/1x6m) | Crystal structure of the glutathione-dependent formaldehyde-activating enzyme (Gfa) | Descriptor: | GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, SULFATE ION, ... | Authors: | Neculai, A.M, Neculai, D, Vorholt, J.A, Becker, S. | Deposit date: | 2004-08-11 | Release date: | 2004-11-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A dynamic zinc redox switch J.Biol.Chem., 280, 2005
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6Z01
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![BU of 6z01 by Molmil](/molmil-images/mine/6z01) | DNA Topoisomerase | Descriptor: | CHLORIDE ION, DNA topoisomerase I | Authors: | Takahashi, T.S, Gadelle, D, Forterre, P, Mayer, C, Petrella, S. | Deposit date: | 2020-05-07 | Release date: | 2021-11-17 | Last modified: | 2023-05-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Topoisomerase I (TOP1) dynamics: conformational transition from open to closed states. Nat Commun, 13, 2022
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6Z03
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![BU of 6z03 by Molmil](/molmil-images/mine/6z03) | DNA Topoisomerase | Descriptor: | DNA topoisomerase I | Authors: | Takahashi, T.S, Gadelle, D, Forterre, P, Mayer, C, Petrella, S. | Deposit date: | 2020-05-07 | Release date: | 2021-11-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Topoisomerase I (TOP1) dynamics: conformational transition from open to closed states. Nat Commun, 13, 2022
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6Z3E
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1XMU
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![BU of 1xmu by Molmil](/molmil-images/mine/1xmu) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Roflumilast | Descriptor: | 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ZINC ION, ... | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-10-04 | Release date: | 2004-12-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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1XOQ
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![BU of 1xoq by Molmil](/molmil-images/mine/1xoq) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast | Descriptor: | 1,2-ETHANEDIOL, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ... | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-10-06 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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4RTD
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![BU of 4rtd by Molmil](/molmil-images/mine/4rtd) | Escherichia coli alpha-2-macroglobulin activated by porcine elastase | Descriptor: | Uncharacterized lipoprotein YfhM | Authors: | Fyfe, C.D, Grinter, R, Roszak, A.W, Josts, I, Cogdell, R.J, Walker, D. | Deposit date: | 2014-11-14 | Release date: | 2015-07-15 | Last modified: | 2015-07-29 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Structure of protease-cleaved Escherichia coli alpha-2-macroglobulin reveals a putative mechanism of conformational activation for protease entrapment. Acta Crystallogr.,Sect.D, 71, 2015
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7TDQ
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1XQL
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![BU of 1xql by Molmil](/molmil-images/mine/1xql) | Effect of a Y265F Mutant on the Transamination Based Cycloserine Inactivation of Alanine Racemase | Descriptor: | (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, (R)-4-AMINO-ISOXAZOLIDIN-3-ONE, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Fenn, T.D, Holyoak, T, Stamper, G.F, Ringe, D. | Deposit date: | 2004-10-12 | Release date: | 2005-01-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Effect of a Y265F Mutant on the Transamination-Based Cycloserine Inactivation of Alanine Racemase Biochemistry, 44, 2005
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6ZJ3
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![BU of 6zj3 by Molmil](/molmil-images/mine/6zj3) | Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis | Descriptor: | 18S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Matzov, D, Halfon, H, Zimmerman, E, Rozenberg, H, Bashan, A, Gray, M.W, Yonath, A.E, Shalev-Benami, M. | Deposit date: | 2020-06-27 | Release date: | 2020-10-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis. Nucleic Acids Res., 48, 2020
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6TT9
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![BU of 6tt9 by Molmil](/molmil-images/mine/6tt9) | rTBL Recombinant Lectin From Tepary Bean | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HEXANE, ... | Authors: | Martinez Alarcon, D, Varrot, A. | Deposit date: | 2019-12-26 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Recombinant Lectin from Tepary Bean (Phaseolus acutifolius) with Specific Recognition for Cancer-Associated Glycans: Production, Structural Characterization, and Target Identification. Biomolecules, 10, 2020
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6ZKB
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![BU of 6zkb by Molmil](/molmil-images/mine/6zkb) | Membrane domain of closed complex I during turnover | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ... | Authors: | Kampjut, D, Sazanov, L.A. | Deposit date: | 2020-06-30 | Release date: | 2020-10-07 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The coupling mechanism of mammalian respiratory complex I. Science, 370, 2020
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7U5S
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6ZKO
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![BU of 6zko by Molmil](/molmil-images/mine/6zko) | Native complex I, closed | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ... | Authors: | Kampjut, D, Sazanov, L.A. | Deposit date: | 2020-06-30 | Release date: | 2020-10-07 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The coupling mechanism of mammalian respiratory complex I. Science, 370, 2020
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4RWH
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![BU of 4rwh by Molmil](/molmil-images/mine/4rwh) | Crystal structure of T cell costimulatory ligand B7-1 (CD80) | Descriptor: | T-lymphocyte activation antigen CD80 | Authors: | Fedorov, A.A, Fedorov, E.V, Samanta, D, Hillerich, B, Seidel, R.D, Almo, S.C. | Deposit date: | 2014-12-04 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Crystal structure of T cell costimulatory ligand B7-1 (CD80) To be Published
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6ZLI
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![BU of 6zli by Molmil](/molmil-images/mine/6zli) | CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP | Descriptor: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-30 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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7U5U
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6PVK
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![BU of 6pvk by Molmil](/molmil-images/mine/6pvk) | Bacterial 45SRbgA ribosomal particle class A | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Ortega, J, Seffouh, A, Jain, N, Jahagirdar, D, Basu, K, Razi, A, Ni, X, Guarne, A, Britton, R.A. | Deposit date: | 2019-07-20 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural consequences of the interaction of RbgA with a 50S ribosomal subunit assembly intermediate. Nucleic Acids Res., 47, 2019
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6ZCZ
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![BU of 6zcz by Molmil](/molmil-images/mine/6zcz) | Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in ternary complex with EY6A Fab and a nanobody. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EY6A heavy chain, ... | Authors: | Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | Deposit date: | 2020-06-12 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient. Nat.Struct.Mol.Biol., 27, 2020
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