6BYP
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![BU of 6byp by Molmil](/molmil-images/mine/6byp) | Structure of PL24 family Polysaccharide lyase-LOR107 | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Ulaganathan, T.S, Cygler, M. | Deposit date: | 2017-12-21 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism. J. Biol. Chem., 293, 2018
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7QKC
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![BU of 7qkc by Molmil](/molmil-images/mine/7qkc) | Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | Descriptor: | Calpeptin, 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: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7JPE
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![BU of 7jpe by Molmil](/molmil-images/mine/7jpe) | Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with m7GpppA Cap-0 and SAM Determined by Fixed-Target Serial Crystallography | Descriptor: | 2'-O-methyltransferase, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Non-structural protein 10, ... | Authors: | Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-08-07 | Release date: | 2020-08-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | 2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography. Proc.Natl.Acad.Sci.USA, 118, 2021
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6CZQ
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7JQM
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![BU of 7jqm by Molmil](/molmil-images/mine/7jqm) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with Bac7-002, mRNA, and deacylated P-site tRNA at 3.05A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Mardirossian, M, Sola, R, Beckert, B, Valencic, E, Collis, D.W.P, Borisek, J, Armas, F, Di Stasi, A, Buchmann, J, Syroegin, E.A, Polikanov, Y.S, Magistrato, A, Hilpert, K, Wilson, D.N, Scocchi, M. | Deposit date: | 2020-08-11 | Release date: | 2020-08-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Peptide Inhibitors of Bacterial Protein Synthesis with Broad Spectrum and SbmA-Independent Bactericidal Activity against Clinical Pathogens. J.Med.Chem., 63, 2020
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3MPY
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![BU of 3mpy by Molmil](/molmil-images/mine/3mpy) | Structure of EUTM in 2-D protein membrane | Descriptor: | Ethanolamine utilization protein eutM, SULFATE ION | Authors: | Sagermann, M, Takenoya, M, Nikolakakis, K. | Deposit date: | 2010-04-27 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic insights into the pore structures and mechanisms of the EutL and EutM shell proteins of the ethanolamine-utilizing microcompartment of Escherichia coli. J.Bacteriol., 192, 2010
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2RSE
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![BU of 2rse by Molmil](/molmil-images/mine/2rse) | NMR structure of FKBP12-mTOR FRB domain-rapamycin complex structure determined based on PCS | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, Serine/threonine-protein kinase mTOR, TERBIUM(III) ION | Authors: | Kobashigawa, Y, Ushio, M, Saio, T, Inagaki, F. | Deposit date: | 2012-01-25 | Release date: | 2012-05-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Convenient method for resolving degeneracies due to symmetry of the magnetic susceptibility tensor and its application to pseudo contact shift-based protein-protein complex structure determination. J.Biomol.Nmr, 53, 2012
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7QW7
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![BU of 7qw7 by Molmil](/molmil-images/mine/7qw7) | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate fully methylated DNA duplex | Descriptor: | Fully methylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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5CXW
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![BU of 5cxw by Molmil](/molmil-images/mine/5cxw) | Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V | Descriptor: | (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Filippova, E.V, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2015-07-29 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance. Febs J., 283, 2016
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5D0T
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![BU of 5d0t by Molmil](/molmil-images/mine/5d0t) | Yeast 20S proteasome beta5-D166N mutant in complex with MG132 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-08-03 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome. Nat Commun, 7, 2016
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7QQ7
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7QW5
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![BU of 7qw5 by Molmil](/molmil-images/mine/7qw5) | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate unmethylated DNA duplex | Descriptor: | Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE, Unmethylated DNA duplex | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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2UZ5
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![BU of 2uz5 by Molmil](/molmil-images/mine/2uz5) | Solution structure of the fkbp-domain of Legionella pneumophila Mip | Descriptor: | MACROPHAGE INFECTIVITY POTENTIATOR | Authors: | Ceymann, A, Horstmann, M, Ehses, P, Schweimer, K, Steinert, M, Kamphausen, T, Fischer, G, Hacker, J, Rosch, P, Faber, C. | Deposit date: | 2007-04-25 | Release date: | 2007-06-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Domain Motions of the Mip Protein from Legionella Pneumophila Biochemistry, 45, 2006
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5NRG
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![BU of 5nrg by Molmil](/molmil-images/mine/5nrg) | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with RB02 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Yonath, A, Matzov, D, Eyal, Z, Ben Hamou, R, Zimmerman, E, Rozenberg, H, Bashan, A, Fridman, M. | Deposit date: | 2017-04-23 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.442 Å) | Cite: | Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus. Nucleic Acids Res., 45, 2017
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6GCX
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![BU of 6gcx by Molmil](/molmil-images/mine/6gcx) | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | Descriptor: | 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1, SULFATE ION | Authors: | Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | Deposit date: | 2018-04-19 | Release date: | 2019-05-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase. Acs Chem.Biol., 13, 2018
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5CZ6
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![BU of 5cz6 by Molmil](/molmil-images/mine/5cz6) | Yeast 20S proteasome beta5-T1A mutant in complex with Syringolin A, propeptide expressed in trans | Descriptor: | (2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-07-31 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome. Nat Commun, 7, 2016
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6SPK
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![BU of 6spk by Molmil](/molmil-images/mine/6spk) | A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 6 | Descriptor: | 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Chantadul, V, Amporndanai, K, Wright, G, Shahid, M, Antonyuk, S, Hasnain, S. | Deposit date: | 2019-09-01 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy. Commun Biol, 3, 2020
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5W6H
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![BU of 5w6h by Molmil](/molmil-images/mine/5w6h) | Crystal structure of Bacteriophage CBA120 tailspike protein 4 enzymatically active domain (TSP4dN, orf213) | Descriptor: | ACETATE ION, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Plattner, M, Shneider, M.M, Leiman, P.G. | Deposit date: | 2017-06-16 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.289 Å) | Cite: | Structure and Function of the Branched Receptor-Binding Complex of Bacteriophage CBA120. J.Mol.Biol., 431, 2019
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7QW6
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![BU of 7qw6 by Molmil](/molmil-images/mine/7qw6) | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate hemimethylated DNA duplex | Descriptor: | Hemimethylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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5NRU
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![BU of 5nru by Molmil](/molmil-images/mine/5nru) | Cys-Gly dipeptidase GliJ in complex with Zn2+ | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, ZINC ION | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2017-04-25 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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7QW8
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![BU of 7qw8 by Molmil](/molmil-images/mine/7qw8) | Adenine-specific DNA methyltransferase M.BseCI | Descriptor: | Modification methylase BseCI | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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5MYU
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![BU of 5myu by Molmil](/molmil-images/mine/5myu) | VipA-N2/VipB contracted sheath of type VI secretion system | Descriptor: | Type VI secretion system protein ImpC, Uncharacterized protein | Authors: | Wang, J, Brackmann, B, Castano-Diez, D, Kudryashev, M, Goldie, D, Maier, T, Stahlberg, H, Basler, M. | Deposit date: | 2017-01-27 | Release date: | 2017-08-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structure of the extended type VI secretion system sheath-tube complex. Nat Microbiol, 2, 2017
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5N2B
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![BU of 5n2b by Molmil](/molmil-images/mine/5n2b) | |
8EP4
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![BU of 8ep4 by Molmil](/molmil-images/mine/8ep4) | Structure of Bacple_01703 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ... | Authors: | Ulaganathan, T, Cygler, M. | Deposit date: | 2022-10-05 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations Biorxiv, 2023
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5VR3
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![BU of 5vr3 by Molmil](/molmil-images/mine/5vr3) | Crystal structure of the BRS domain of BRAF | Descriptor: | BRAF, SULFATE ION | Authors: | Thevakumaran, N, Maisonneuve, P, Kurinov, I, Lavoie, H, Marullo, S.A, Sahmi, M, Jin, T, Therrien, M, Sicheri, F. | Deposit date: | 2017-05-10 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | MEK drives BRAF activation through allosteric control of KSR proteins. Nature, 554, 2018
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