6WJJ
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![BU of 6wjj by Molmil](/molmil-images/mine/6wjj) | Anthrax octamer prechannel bound to full-length lethal factor | Descriptor: | CALCIUM ION, Lethal factor, Protective antigen, ... | Authors: | Zhou, K, Hardenbrook, N.J, Liu, S, Cui, Y.X, Krantz, B.A, Zhou, Z.H. | Deposit date: | 2020-04-13 | Release date: | 2020-12-16 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic Structures of Anthrax Prechannel Bound with Full-Length Lethal and Edema Factors. Structure, 28, 2020
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6CSL
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![BU of 6csl by Molmil](/molmil-images/mine/6csl) | Pneumococcal PhtD protein 269-339 fragment with bound Zn(II) | Descriptor: | Histidine triad protein D, ZINC ION | Authors: | Luo, Z, Pederick, V.G, Paton, J.C, McDevitt, C.A, Kobe, B. | Deposit date: | 2018-03-20 | Release date: | 2018-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.921 Å) | Cite: | Structural characterisation of the HT3 motif of the polyhistidine triad protein D from Streptococcus pneumoniae. FEBS Lett., 592, 2018
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4PMJ
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![BU of 4pmj by Molmil](/molmil-images/mine/4pmj) | Crystal structure of a putative oxidoreductase from Sinorhizobium meliloti 1021 in complex with NADP | Descriptor: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative oxidoreductase | Authors: | Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Szlachta, K, Zimmerman, M.D, Hillerich, B.S, Gizzi, A, Toro, R, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-05-21 | Release date: | 2014-06-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a putative oxidoreductase from Sinorhizobiummeliloti 1021 in complex with NADP to be published
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2KSW
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![BU of 2ksw by Molmil](/molmil-images/mine/2ksw) | Backbone 1H, 13C, and 15N Chemical Shift Assignments for Oryctin | Descriptor: | Oryctin | Authors: | Horita, S, Ishibashi, J, Nagata, K, Miyakawa, T, Yamakawa, M, Tanokura, M. | Deposit date: | 2010-01-14 | Release date: | 2010-07-14 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Isolation, cDNA cloning, and structure-based functional characterization of oryctin, a hemolymph protein from the coconut rhinoceros beetle, Oryctes rhinoceros, as a novel serine protease inhibitor J.Biol.Chem., 285, 2010
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2LNC
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![BU of 2lnc by Molmil](/molmil-images/mine/2lnc) | Solution NMR structure of Norwalk virus protease | Descriptor: | 3C-like protease | Authors: | Takahashi, D, Hiromasa, Y, Kim, Y, Anbanandam, A, Chang, K, Prakash, O. | Deposit date: | 2011-12-22 | Release date: | 2012-12-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural and dynamics characterization of norovirus protease. Protein Sci., 22, 2013
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7B3E
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![BU of 7b3e by Molmil](/molmil-images/mine/7b3e) | Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | Descriptor: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | Deposit date: | 2020-11-30 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen. Acs Pharmacol Transl Sci, 4, 2021
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2M5T
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![BU of 2m5t by Molmil](/molmil-images/mine/2m5t) | Solution structure of the 2A proteinase from a common cold agent, human rhinovirus RV-C02, strain W12 | Descriptor: | ZINC ION, human rhinovirus 2A proteinase | Authors: | Lee, W, Frederick, R, Tonelli, M, Troupis, A.T, Reinin, N, Suchy, F.P, Moyer, K, Watters, K, Aceti, D, Palmenberg, A.C, Markley, J.L. | Deposit date: | 2013-03-07 | Release date: | 2014-03-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the 2A Protease from a Common Cold Agent, Human Rhinovirus C2, Strain W12. Plos One, 9, 2014
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5JD3
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![BU of 5jd3 by Molmil](/molmil-images/mine/5jd3) | Crystal structure of LAE5, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, LAE5, ... | Authors: | Stogios, P.J, Xu, X, Nocek, B, Cui, H, Yim, V, Martinez-Martinez, M, Alcaide, M, Ferrer, M, Savchenko, A. | Deposit date: | 2016-04-15 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | To be published To Be Published
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2L6S
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![BU of 2l6s by Molmil](/molmil-images/mine/2l6s) | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | Descriptor: | VIR-576 | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Canales-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Standker, L, Kirchhoff, F, Schmidt, R.E. | Deposit date: | 2010-11-24 | Release date: | 2011-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide. Sci Transl Med, 2, 2010
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7KXR
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![BU of 7kxr by Molmil](/molmil-images/mine/7kxr) | |
7AKV
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![BU of 7akv by Molmil](/molmil-images/mine/7akv) | The cryo-EM structure of the Vag8-C1 inhibitor complex | Descriptor: | Plasma protease C1 inhibitor, Vag8 | Authors: | Johnson, S, Lea, S.M, Deme, J.C, Furlong, E, Dhillon, A. | Deposit date: | 2020-10-02 | Release date: | 2021-06-16 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular Basis for Bordetella pertussis Interference with Complement, Coagulation, Fibrinolytic, and Contact Activation Systems: the Cryo-EM Structure of the Vag8-C1 Inhibitor Complex. Mbio, 12, 2021
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2L6T
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![BU of 2l6t by Molmil](/molmil-images/mine/2l6t) | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | Descriptor: | VIR-576 | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E. | Deposit date: | 2010-11-24 | Release date: | 2011-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide. Sci Transl Med, 2, 2010
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4XEA
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![BU of 4xea by Molmil](/molmil-images/mine/4xea) | Crystal structure of putative M16-like peptidase from Alicyclobacillus acidocaldarius | Descriptor: | ACETATE ION, GLYCEROL, NICKEL (II) ION, ... | Authors: | Michalska, K, Tesar, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-12-23 | Release date: | 2015-03-18 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of putative M16-like peptidase from Alicyclobacillus acidocaldarius To Be Published
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4J70
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![BU of 4j70 by Molmil](/molmil-images/mine/4j70) | Yeast 20S proteasome in complex with the belactosin derivative 3e | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | Authors: | Kawamura, S, Unno, Y, List, A, Tanaka, M, Sasaki, T, Arisawa, M, Asai, A, Groll, M, Shuto, S. | Deposit date: | 2013-02-12 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Potent Proteasome Inhibitors Derived from the Unnatural cis-Cyclopropane Isomer of Belactosin A: Synthesis, Biological Activity, and Mode of Action. J.Med.Chem., 56, 2013
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5NN8
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![BU of 5nn8 by Molmil](/molmil-images/mine/5nn8) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with acarbose | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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: | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | Deposit date: | 2017-04-08 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease. Nat Commun, 8, 2017
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4YO1
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4YNN
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![BU of 4ynn by Molmil](/molmil-images/mine/4ynn) | Structure of Legionella pneumophila DegQ (S190A variant) | Descriptor: | Hepta-peptide, Hexa-peptide, Octapeptide, ... | Authors: | Wrase, R, Hilgenfeld, R, Hansen, G. | Deposit date: | 2015-03-10 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of DegQ from Legionella pneumophila Define Distinct ON and OFF States. J.Mol.Biol., 427, 2015
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5NN6
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![BU of 5nn6 by Molmil](/molmil-images/mine/5nn6) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-hydroxyethyl-1-deoxynojirimycin | Descriptor: | (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | Deposit date: | 2017-04-08 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease. Nat Commun, 8, 2017
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5NN3
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![BU of 5nn3 by Molmil](/molmil-images/mine/5nn3) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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: | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | Deposit date: | 2017-04-08 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease. Nat Commun, 8, 2017
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5MM8
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3H7T
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4WY3
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![BU of 4wy3 by Molmil](/molmil-images/mine/4wy3) | Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor | Descriptor: | (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2014-11-15 | Release date: | 2015-02-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors. Bioorg.Med.Chem., 23, 2015
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5FR3
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![BU of 5fr3 by Molmil](/molmil-images/mine/5fr3) | X-ray crystal structure of aggregation-resistant protective antigen of Bacillus anthracis (mutant S559L T576E) | Descriptor: | CALCIUM ION, GLYCEROL, PROTECTIVE ANTIGEN | Authors: | Ganesan, A, Siekierska, A, Beerten, J, Brams, M, van Durme, J, De Baets, G, van der Kant, R, Gallardo, R, Ramakers, M, Langenberg, T, Wilkinson, H, De Smet, F, Ulens, C, Rousseau, F, Schymkowitz, J. | Deposit date: | 2015-12-15 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.935 Å) | Cite: | Structural Hot Spots for the Solubility of Globular Proteins Nat.Commun., 7, 2016
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4I6X
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5AHJ
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![BU of 5ahj by Molmil](/molmil-images/mine/5ahj) | Yeast 20S proteasome in complex with Macyranone A | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 20S PROTEASOME, CHLORIDE ION, ... | Authors: | Etzbach, L, Plaza, A, Dubiella, C, Groll, M, Kaiser, M, Mueller, R. | Deposit date: | 2015-02-06 | Release date: | 2015-02-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Macyranones: Structure, Biosynthesis, and Binding Mode of an Unprecedented Epoxyketone that Targets the 20S Proteasome. J.Am.Chem.Soc., 137, 2015
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