7KB3
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![BU of 7kb3 by Molmil](/molmil-images/mine/7kb3) | The structure of a sensor domain of a histidine kinase (VxrA) from Vibrio cholerae O1 biovar eltor str. N16961, 2nd form | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-10-01 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change. J.Bacteriol., 2021
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1NHW
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![BU of 1nhw by Molmil](/molmil-images/mine/1nhw) | Crystal Structure Analysis of Plasmodium falciparum enoyl-acyl-carrier-protein reductase | Descriptor: | 2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | Authors: | Perozzo, R, Kuo, M, Sidhu, A.S, Valiyaveettil, J.T, Bittman, R, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | Deposit date: | 2002-12-19 | Release date: | 2003-02-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Elucidation of the Specificity of the Antibacterial Agent Triclosan for
Malarial Enoyl Acyl Carrier Protein Reductase Year J.Biol.Chem., 277, 2002
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7KB7
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![BU of 7kb7 by Molmil](/molmil-images/mine/7kb7) | THE STRUCTURE OF A SENSOR DOMAIN OF A HISTIDINE KINASE (VxrA) FROM VIBRIO CHOLERAE O1 BIOVAR ELTOR STR. N16961, N239-T240 deletion mutant | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, SULFATE ION, ... | Authors: | Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Membrane Proteins of Infectious Diseases (MPID) | Deposit date: | 2020-10-01 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change. J.Bacteriol., 2021
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6X1A
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![BU of 6x1a by Molmil](/molmil-images/mine/6x1a) | Non peptide agonist PF-06882961, bound to Glucagon-Like peptide-1 (GLP-1) Receptor | Descriptor: | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Belousoff, M.J, Zhang, X, Danev, R. | Deposit date: | 2020-05-18 | Release date: | 2020-09-09 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists. Mol.Cell, 80, 2020
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1NKK
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![BU of 1nkk by Molmil](/molmil-images/mine/1nkk) | COMPLEX STRUCTURE OF HCMV PROTEASE AND A PEPTIDOMIMETIC INHIBITOR | Descriptor: | Capsid protein P40, Peptidomimetic inhibitor | Authors: | Khayat, R, Batra, R, Qian, C, Halmos, T, Bailey, M, Tong, L. | Deposit date: | 2003-01-03 | Release date: | 2003-02-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Biochemical Studies of Inhibitor Binding to Human Cytomegalovirus Protease Biochemistry, 42, 2003
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1XHL
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![BU of 1xhl by Molmil](/molmil-images/mine/1xhl) | Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate | Descriptor: | 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase family member (5L265), ... | Authors: | Schormann, N, Karpova, E, Zhou, J, Zhang, Y, Symersky, J, Bunzel, R, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKInstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-20 | Release date: | 2004-09-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate To be Published
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5A15
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![BU of 5a15 by Molmil](/molmil-images/mine/5a15) | Crystal structure of the BTB domain of human KCTD16 | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD16 | Authors: | Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Canning, P, Dixon Clarke, S.E, Talon, R, Wiggers, H.J, Fitzpatrick, F, Tallant, C, Kopec, J, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2015-04-28 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
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1OEC
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![BU of 1oec by Molmil](/molmil-images/mine/1oec) | FGFr2 kinase domain | Descriptor: | 4-ARYL-2-PHENYLAMINO PYRIMIDINE, FIBROBLAST GROWTH FACTOR RECEPTOR 2, SULFATE ION | Authors: | Ceska, T.A, Owens, R, Doyle, C, Hamlyn, P, Crabbe, T, Moffat, D, Davis, J, Martin, R, Perry, M.J. | Deposit date: | 2003-03-24 | Release date: | 2004-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Crystal Structure of the Fgfr2 Tyrosine Kinase Domain in Complex with 4-Aryl-2-Phenylamino Pyrimidine Angiogenesis Inhibitors To be Published
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6WXC
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![BU of 6wxc by Molmil](/molmil-images/mine/6wxc) | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil | Descriptor: | 1,2-ETHANEDIOL, 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL, FORMIC ACID, ... | Authors: | Kim, Y, Maltseva, N, Jedrzejczak, R, Welk, L, Endres, M, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-05-10 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2. Commun Biol, 4, 2021
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5JFW
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![BU of 5jfw by Molmil](/molmil-images/mine/5jfw) | Crystal structure of TrkA in complex with PF-05247452 | Descriptor: | 2-(4-cyanophenyl)-N-{5-[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide, High affinity nerve growth factor receptor | Authors: | Jayasankar, J, Kurumbail, R, Skerratt, S, Brown, D. | Deposit date: | 2016-04-19 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain. J. Med. Chem., 59, 2016
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1D1N
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![BU of 1d1n by Molmil](/molmil-images/mine/1d1n) | SOLUTION STRUCTURE OF THE FMET-TRNAFMET BINDING DOMAIN OF BECILLUS STEAROTHERMOPHILLUS TRANSLATION INITIATION FACTOR IF2 | Descriptor: | INITIATION FACTOR 2 | Authors: | Meunier, S, Spurio, S, Czisch, M, Wechselberger, R, Gueunneugues, M. | Deposit date: | 1999-09-20 | Release date: | 2000-09-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the fMet-tRNA(fMet)-binding domain of B. stearothermophilus initiation factor IF2. EMBO J., 19, 2000
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1D2M
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![BU of 1d2m by Molmil](/molmil-images/mine/1d2m) | UVRB PROTEIN OF THERMUS THERMOPHILUS HB8; A NUCLEOTIDE EXCISION REPAIR ENZYME | Descriptor: | EXCINUCLEASE ABC SUBUNIT B, SULFATE ION, octyl beta-D-glucopyranoside | Authors: | Nakagawa, N, Sugahara, M, Masui, R, Kato, R, Fukuyama, K, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 1999-09-25 | Release date: | 2000-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Thermus thermophilus HB8 UvrB protein, a key enzyme of nucleotide excision repair. J.Biochem.(Tokyo), 126, 1999
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1OO2
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![BU of 1oo2 by Molmil](/molmil-images/mine/1oo2) | Crystal structure of transthyretin from Sparus aurata | Descriptor: | CADMIUM ION, transthyretin | Authors: | Pasquato, N, Ramazzina, I, Folli, C, Battistutta, R, Berni, R, Zanotti, G. | Deposit date: | 2003-03-03 | Release date: | 2004-01-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Distinctive binding and structural properties of piscine transthyretin. Febs Lett., 555, 2003
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5JDT
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![BU of 5jdt by Molmil](/molmil-images/mine/5jdt) | Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K | Descriptor: | AZIDE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T. | Deposit date: | 2016-04-17 | Release date: | 2016-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-ray Crystallography and Site-Directed Spin Labeling. J.Am.Chem.Soc., 138, 2016
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6WPT
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![BU of 6wpt by Molmil](/molmil-images/mine/6wpt) | Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment (open state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, ... | Authors: | Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2020-04-27 | Release date: | 2020-05-27 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody. Nature, 583, 2020
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1OND
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![BU of 1ond by Molmil](/molmil-images/mine/1ond) | THE CRYSTAL STRUCTURE OF THE 50S LARGE RIBOSOMAL SUBUNIT FROM DEINOCOCCUS RADIODURANS COMPLEXED WITH TROLEANDOMYCIN MACROLIDE ANTIBIOTIC | Descriptor: | 23S RIBOSOMAL RNA, 50S ribosomal protein L22, 50S ribosomal protein L32, ... | Authors: | Berisio, R, Schluenzen, F, Harms, J, Bashan, A, Auerbach, T, Baram, D, Yonath, A. | Deposit date: | 2003-02-27 | Release date: | 2003-04-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural insight into the role of the ribosomal tunnel in cellular regulation Nat.Struct.Biol., 10, 2003
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1XFN
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![BU of 1xfn by Molmil](/molmil-images/mine/1xfn) | NMR structure of the ground state of the photoactive yellow protein lacking the N-terminal part | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | Authors: | Bernard, C, Houben, K, Derix, N.M, Marks, D, van der Horst, M.A, Hellingwerf, K.J, Boelens, R, Kaptein, R, van Nuland, N.A. | Deposit date: | 2004-09-15 | Release date: | 2005-08-16 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | The solution structure of a transient photoreceptor intermediate: delta25 photoactive yellow protein STRUCTURE, 13, 2005
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1XKD
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![BU of 1xkd by Molmil](/molmil-images/mine/1xkd) | Ternary complex of Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix | Descriptor: | CALCIUM ION, ISOCITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Karlstrom, M, Stokke, R, Steen, I.H, Birkeland, N.-K, Ladenstein, R. | Deposit date: | 2004-09-28 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix: X-ray structure analysis of a ternary enzyme-substrate complex and thermal stability. J.Mol.Biol., 345, 2005
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6WPS
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![BU of 6wps by Molmil](/molmil-images/mine/6wps) | Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, ... | Authors: | Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2020-04-27 | Release date: | 2020-05-27 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody. Nature, 583, 2020
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6X19
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![BU of 6x19 by Molmil](/molmil-images/mine/6x19) | Non peptide agonist CHU-128, bound to Glucagon-Like peptide-1 (GLP-1) Receptor | Descriptor: | 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Belousoff, M.J, Zhang, X, Danev, R. | Deposit date: | 2020-05-18 | Release date: | 2020-09-09 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists. Mol.Cell, 80, 2020
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7KB9
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![BU of 7kb9 by Molmil](/molmil-images/mine/7kb9) | THE STRUCTURE OF A SENSOR DOMAIN OF A HISTIDINE KINASE (VxrA) FROM VIBRIO CHOLERAE O1 BIOVAR ELTOR STR. N16961, D238-T240 deletion mutant | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Sensor histidine kinase | Authors: | Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-10-01 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change. J.Bacteriol., 2021
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5KSR
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![BU of 5ksr by Molmil](/molmil-images/mine/5ksr) | Stationary phase survival protein E (SurE) from Xylella fastidiosa - XFSurE-TB (Tetramer Bigger). | Descriptor: | 5'-nucleotidase SurE, CHLORIDE ION, IODIDE ION, ... | Authors: | Machado, A.T.P, Fonseca, E.M.B, Dos Reis, M.A, Saraiva, A.M, Dos Santos, C.A, De Toledo, M.A, Polikarpov, I, De Souza, A.P, De Aparicio, R, Iulek, J. | Deposit date: | 2016-07-09 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis. Proteins, 85, 2017
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6WLC
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![BU of 6wlc by Molmil](/molmil-images/mine/6wlc) | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-5'-Monophosphate | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Chang, C, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-19 | Release date: | 2020-04-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2. Commun Biol, 4, 2021
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1PZX
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![BU of 1pzx by Molmil](/molmil-images/mine/1pzx) | Hypothetical protein APC36103 from Bacillus stearothermophilus: a lipid binding protein | Descriptor: | Hypothetical protein APC36103, PALMITIC ACID | Authors: | Zhang, R, Osipiuk, J, Zhou, M, Alkire, R, Moy, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-07-14 | Release date: | 2004-01-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lipid binding protein APC36103 from Bacillus Stearothermophilus To be Published
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1I1Z
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![BU of 1i1z by Molmil](/molmil-images/mine/1i1z) | MUTANT HUMAN LYSOZYME (Q86D) | Descriptor: | LYSOZYME C | Authors: | Kuroki, R. | Deposit date: | 2001-02-05 | Release date: | 2001-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and thermodynamic responses of mutations at a Ca2+ binding site engineered into human lysozyme. J.Biol.Chem., 273, 1998
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