2O8M
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![BU of 2o8m by Molmil](/molmil-images/mine/2o8m) | Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease | Descriptor: | Protease, SODIUM ION, ZINC ION | Authors: | Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N. | Deposit date: | 2006-12-12 | Release date: | 2007-10-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization J.Med.Chem., 50, 2007
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7OJ8
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![BU of 7oj8 by Molmil](/molmil-images/mine/7oj8) | ABCG2 E1S turnover-2 state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | Authors: | Ni, D, Yu, Q, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | Deposit date: | 2021-05-14 | Release date: | 2021-07-21 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism. Nat Commun, 12, 2021
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6HD1
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![BU of 6hd1 by Molmil](/molmil-images/mine/6hd1) | human STEAP4 bound to NADPH, FAD and heme. | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Oosterheert, W, van Bezouwen, L.S, Rodenburg, R.N.P, Forster, F, Mattevi, A, Gros, P. | Deposit date: | 2018-08-17 | Release date: | 2018-10-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of human STEAP4 reveal mechanism of iron(III) reduction. Nat Commun, 9, 2018
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7U92
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![BU of 7u92 by Molmil](/molmil-images/mine/7u92) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006a | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-03-09 | Release date: | 2023-09-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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2OG7
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![BU of 2og7 by Molmil](/molmil-images/mine/2og7) | Cystal structure of asparagine oxygenase in complex with Fe(II), 2S,3S-3-hydroxyasparagine and succinate | Descriptor: | BETA-HYDROXYASPARAGINE, FE (II) ION, SUCCINIC ACID, ... | Authors: | Essen, L.-O, Strieker, M. | Deposit date: | 2007-01-05 | Release date: | 2007-03-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Mechanistic and structural basis of stereospecific Cbeta-hydroxylation in calcium-dependent antibiotic, a daptomycin-type lipopeptide Acs Chem.Biol., 2, 2007
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7O01
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2OHM
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6PV4
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![BU of 6pv4 by Molmil](/molmil-images/mine/6pv4) | Structure of CpGH84A | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycoside Hydrolase | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2019-07-19 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens. Glycobiology, 30, 2019
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2OHS
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![BU of 2ohs by Molmil](/molmil-images/mine/2ohs) | X-ray crystal structure of beta secretase complexed with compound 6b | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Patel, S. | Deposit date: | 2007-01-10 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. J.Med.Chem., 50, 2007
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7NWT
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![BU of 7nwt by Molmil](/molmil-images/mine/7nwt) | Initiated 70S ribosome in complex with 2A protein from encephalomyocarditis virus (EMCV) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Hill, C.H, Napthine, S, Pekarek, L, Kibe, A, Firth, A.E, Graham, S.C, Caliskan, N, Brierley, I. | Deposit date: | 2021-03-17 | Release date: | 2021-12-15 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural and molecular basis for Cardiovirus 2A protein as a viral gene expression switch Nat Commun, 12, 2021
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6VLG
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![BU of 6vlg by Molmil](/molmil-images/mine/6vlg) | Crystal structure of mouse alpha 1,6-fucosyltransferase, FUT8 bound to GDP | Descriptor: | Alpha-(1,6)-fucosyltransferase, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | Deposit date: | 2020-01-23 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
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6PYB
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![BU of 6pyb by Molmil](/molmil-images/mine/6pyb) | Sex Hormone-binding globulin mutant E176K in complex with DVT | Descriptor: | 4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol), CALCIUM ION, Sex hormone-binding globulin | Authors: | Round, P.W, Das, S, Van Petegem, F. | Deposit date: | 2019-07-29 | Release date: | 2019-12-25 | Last modified: | 2020-02-12 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular interactions between sex hormone-binding globulin and nonsteroidal ligands that enhance androgen activity. J.Biol.Chem., 295, 2020
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2OJG
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2NVQ
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![BU of 2nvq by Molmil](/molmil-images/mine/2nvq) | RNA Polymerase II Elongation Complex in 150 mM Mg+2 with 2'dUTP | Descriptor: | 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ... | Authors: | Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D. | Deposit date: | 2006-11-13 | Release date: | 2006-12-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis Cell(Cambridge,Mass.), 127, 2006
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2NWL
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![BU of 2nwl by Molmil](/molmil-images/mine/2nwl) | Crystal structure of GltPh in complex with L-Asp | Descriptor: | ASPARTIC ACID, PALMITIC ACID, glutamate symport protein | Authors: | Gouaux, E, Boudker, O, Ryan, R, Yernool, D, Shimamoto, K. | Deposit date: | 2006-11-15 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Coupling substrate and ion binding to extracellular gate of a sodium-dependent aspartate transporter. Nature, 445, 2007
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6VXR
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![BU of 6vxr by Molmil](/molmil-images/mine/6vxr) | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, Maternal embryonic leucine zipper kinase | Authors: | Counago, R.M, Takarada, J.E, dos Reis, C.V, Gama, F.H, Azevedo, H, Mascarello, A, Guimaraes, C.R, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-24 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 To Be Published
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7U39
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7U2H
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![BU of 7u2h by Molmil](/molmil-images/mine/7u2h) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, aminoacylated P-site fMet-NH-tRNAmet, and deacylated E-site tRNAgly at 2.55A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S. | Deposit date: | 2022-02-24 | Release date: | 2022-07-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine. Nucleic Acids Res., 50, 2022
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2PF0
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6Z0K
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![BU of 6z0k by Molmil](/molmil-images/mine/6z0k) | Crystal structure of laccase from Pediococcus acidilactici Pp5930 (Hepes pH 7.5) | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, Putative multicopper oxidase mco | Authors: | Casino, P, Huesa, J, Pardo, I. | Deposit date: | 2020-05-09 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species. Microb Biotechnol, 14, 2021
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6Z0J
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6Q0Y
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![BU of 6q0y by Molmil](/molmil-images/mine/6q0y) | Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine | Descriptor: | 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2019-08-02 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine To Be Published
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2P8R
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![BU of 2p8r by Molmil](/molmil-images/mine/2p8r) | Crystal structure of the C-terminal domain of C. elegans pre-mRNA splicing factor Prp8 carrying R2303K mutant | Descriptor: | Pre-mRNA-splicing factor Prp8 | Authors: | Zhang, L, Shen, J, Guarnieri, M.T, Heroux, A, Yang, K, Zhao, R. | Deposit date: | 2007-03-22 | Release date: | 2007-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the C-terminal domain of splicing factor Prp8 carrying retinitis pigmentosa mutants Protein Sci., 16, 2007
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6UNX
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![BU of 6unx by Molmil](/molmil-images/mine/6unx) | Structure of E. coli FtsZ(L178E)-GTP complex | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-TRIPHOSPHATE | Authors: | Schumacher, M.A. | Deposit date: | 2019-10-13 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution crystal structures of Escherichia coli FtsZ bound to GDP and GTP. Acta Crystallogr.,Sect.F, 76, 2020
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6UO1
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![BU of 6uo1 by Molmil](/molmil-images/mine/6uo1) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA (containing pseudouridine at the first position of the codon) and deacylated A-, P-, and E-site tRNAs at 2.95A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Batool, Z, Dobosz-Bartoszek, M, Polikanov, Y.S. | Deposit date: | 2019-10-14 | Release date: | 2019-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Pseudouridinylation of mRNA coding sequences alters translation. Proc.Natl.Acad.Sci.USA, 116, 2019
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