7Z3T
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![BU of 7z3t by Molmil](/molmil-images/mine/7z3t) | Crystal structure of apo human Cathepsin L | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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3LSV
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4W9M
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![BU of 4w9m by Molmil](/molmil-images/mine/4w9m) | AMPPNP bound Rad50 in complex with dsDNA | Descriptor: | DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*CP*AP*CP*CP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*GP*AP*CP*CP*GP*AP*CP*C)-3'), Exonuclease, ... | Authors: | Rojowska, A, Lammens, K. | Deposit date: | 2014-08-27 | Release date: | 2015-01-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the Rad50 DNA double-strand break repair protein in complex with DNA. Embo J., 33, 2014
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7Z5L
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6M8Z
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![BU of 6m8z by Molmil](/molmil-images/mine/6m8z) | Crystal structure of human DJ-1 without a modification on Cys-106 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Shumilin, I.A, Shabalin, I.G, Shumilina, S.V, Werenskjold, C, Utepbergenov, D, Minor, W. | Deposit date: | 2018-08-22 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1. Biochem. Biophys. Res. Commun., 504, 2018
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5U5S
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7OFU
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![BU of 7ofu by Molmil](/molmil-images/mine/7ofu) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFS
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![BU of 7ofs by Molmil](/molmil-images/mine/7ofs) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | Descriptor: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFT
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![BU of 7oft by Molmil](/molmil-images/mine/7oft) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | Descriptor: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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5KCX
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![BU of 5kcx by Molmil](/molmil-images/mine/5kcx) | Pim-1 kinase in Complex with a Selective N-substituted 7-azaindole Inhibitor | Descriptor: | 4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ... | Authors: | Mechin, I, McLean, L.R, Zhang, Y, Wang, R. | Deposit date: | 2016-06-07 | Release date: | 2017-07-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg. Med. Chem. Lett., 27, 2017
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8TW1
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![BU of 8tw1 by Molmil](/molmil-images/mine/8tw1) | Crystal structure of Lys2972, a phage endolysin targeting Streptococcus thermophilus | Descriptor: | Endolysin Lys2972, GLYCEROL, SODIUM ION | Authors: | Zhu, X, Moineau, S, Shi, R. | Deposit date: | 2023-08-18 | Release date: | 2024-03-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Fermentation Practices Select for Thermostable Endolysins in Phages. Mol.Biol.Evol., 41, 2024
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5WJL
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![BU of 5wjl by Molmil](/molmil-images/mine/5wjl) | Crystal Structure of HLA-A*11:01 with GTS1 peptide | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GTS1 peptide, ... | Authors: | Gras, S, Rossjohn, J. | Deposit date: | 2017-07-23 | Release date: | 2017-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response. Nat. Immunol., 18, 2017
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5WJN
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![BU of 5wjn by Molmil](/molmil-images/mine/5wjn) | Crystal Structure of HLA-A*11:01-GTS3 | Descriptor: | Beta-2-microglobulin, GTS3 peptide, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Rossjohn, J. | Deposit date: | 2017-07-23 | Release date: | 2017-09-20 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response. Nat. Immunol., 18, 2017
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8SK5
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![BU of 8sk5 by Molmil](/molmil-images/mine/8sk5) | Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH | Authors: | Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y. | Deposit date: | 2023-04-18 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants. Sci Rep, 13, 2023
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7AYY
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![BU of 7ayy by Molmil](/molmil-images/mine/7ayy) | Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with activator TH10785 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, N-glycosylase/DNA lyase, ... | Authors: | Masuyer, G, Davies, J.R, Stenmark, P. | Deposit date: | 2020-11-13 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function. Science, 376, 2022
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7AYZ
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7AZ0
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5LX9
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![BU of 5lx9 by Molmil](/molmil-images/mine/5lx9) | CRYSTAL STRUCTURE OF HUMAN ADIPONECTIN RECEPTOR 2 IN COMPLEX WITH A C18 FREE FATTY ACID AT 2.4 ANGSTROM RESOLUTION | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, HUMAN ADIPONECTIN RECEPTOR 2, OLEIC ACID, ... | Authors: | Vasiliauskaite-Brooks, I, Leyrat, C, Hoh, F, Granier, S. | Deposit date: | 2016-09-20 | Release date: | 2017-03-22 | Last modified: | 2017-04-12 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into adiponectin receptors suggest ceramidase activity. Nature, 6, 2017
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5LWY
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![BU of 5lwy by Molmil](/molmil-images/mine/5lwy) | Revised crystal structure of the human adiponectin receptor 2 in complex with a C18 free fatty acid | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 2, GLYCEROL, ... | Authors: | Leyrat, C, Vasiliauskaite-Brooks, I, Granier, S. | Deposit date: | 2016-09-19 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into adiponectin receptors suggest ceramidase activity. Nature, 6, 2017
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5LXA
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![BU of 5lxa by Molmil](/molmil-images/mine/5lxa) | CRYSTAL STRUCTURE OF HUMAN ADIPONECTIN RECEPTOR 2 IN COMPLEX WITH A C18 FREE FATTY ACID AT 3.0 ANGSTROM RESOLUTION | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 2, Anti-CD30 moab Ki-4 scFv, ... | Authors: | Vasiliauskaite-Brooks, I, Leyrat, C, Hoh, F, Granier, S. | Deposit date: | 2016-09-20 | Release date: | 2017-03-22 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into adiponectin receptors suggest ceramidase activity. Nature, 6, 2017
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5L0Q
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![BU of 5l0q by Molmil](/molmil-images/mine/5l0q) | Crystal structure of the complex between ADAM10 D+C domain and a conformation specific mAb 8C7. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Disintegrin and metalloproteinase domain-containing protein 10, MAGNESIUM ION, ... | Authors: | Xu, K, Saha, N, Nikolov, D.B. | Deposit date: | 2016-07-28 | Release date: | 2016-11-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.759 Å) | Cite: | An activated form of ADAM10 is tumor selective and regulates cancer stem-like cells and tumor growth. J.Exp.Med., 213, 2016
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8ORC
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![BU of 8orc by Molmil](/molmil-images/mine/8orc) | Mus Musculus Acetylcholinesterase in complex with AL237 | Descriptor: | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea, 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Ekstrom, F.E, Linusson, A. | Deposit date: | 2023-04-13 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enzyme Dynamics Determine Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes To Be Published
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5LXG
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![BU of 5lxg by Molmil](/molmil-images/mine/5lxg) | Revised crystal structure of the human adiponectin receptor 1 in an open conformation | Descriptor: | Adiponectin receptor protein 1, SULFATE ION, V REGION HEAVY CHAIN, ... | Authors: | Leyrat, C, Vasiliauskaite-Brooks, I, Granier, S. | Deposit date: | 2016-09-21 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structural insights into adiponectin receptors suggest ceramidase activity. Nature, 6, 2017
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8Q3U
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![BU of 8q3u by Molmil](/molmil-images/mine/8q3u) | Crystal structure of a fentanyl derivative in complex with human CA VII | Descriptor: | Carbonic anhydrase 7, GLYCEROL, ZINC ION, ... | Authors: | Alterio, V, Di Fiore, A, De Simone, G. | Deposit date: | 2023-08-04 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Discovery of a novel series of potent carbonic anhydrase inhibitors with selective affinity for mu Opioid receptor for Safer and long-lasting analgesia. Eur.J.Med.Chem., 260, 2023
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7NB1
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![BU of 7nb1 by Molmil](/molmil-images/mine/7nb1) | Crystal structure of human choline alpha in complex with an inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-aminopurin-9-yl)-~{N}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide, Choline kinase alpha | Authors: | Casale, E, Fasolini, M. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of unprecedented ATP-competitive choline kinase inhibitors. Bioorg.Med.Chem.Lett., 51, 2021
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