4YBO
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6H9Z
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![BU of 6h9z by Molmil](/molmil-images/mine/6h9z) | Molecular bases of histo-blood group antigen recognition by the most common human rotavirus | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Outer capsid protein VP4, SULFATE ION | Authors: | Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A. | Deposit date: | 2018-08-06 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens. Plos Pathog., 15, 2019
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3I0M
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![BU of 3i0m by Molmil](/molmil-images/mine/3i0m) | Structure of the S. pombe Nbs1 FHA/BRCT-repeat domain | Descriptor: | DNA repair and telomere maintenance protein nbs1, GLYCEROL | Authors: | Clapperton, J.A, Lloyd, J, Chapman, J.R, Jackson, S.P, Smerdon, S.J. | Deposit date: | 2009-06-25 | Release date: | 2009-10-13 | Last modified: | 2012-05-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A supramodular FHA/BRCT-repeat architecture mediates Nbs1 adaptor function in response to DNA damage Cell(Cambridge,Mass.), 139, 2009
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6H9W
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![BU of 6h9w by Molmil](/molmil-images/mine/6h9w) | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens | Descriptor: | CITRIC ACID, ISOPROPYL ALCOHOL, Outer capsid protein VP4, ... | Authors: | Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A. | Deposit date: | 2018-08-06 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens. Plos Pathog., 15, 2019
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6HA0
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![BU of 6ha0 by Molmil](/molmil-images/mine/6ha0) | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens | Descriptor: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A. | Deposit date: | 2018-08-06 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens. Plos Pathog., 15, 2019
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1H91
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![BU of 1h91 by Molmil](/molmil-images/mine/1h91) | The crystal structure of lobster apocrustacyanin A1 using softer X-rays. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CRUSTACYANIN A1 SUBUNIT | Authors: | Cianci, M, Rizkallah, P.J, Olczak, A, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R. | Deposit date: | 2001-02-21 | Release date: | 2001-09-06 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of Lobster Apocrustacyanin A1 Using Softer X-Rays Acta Crystallogr.,Sect.D, 57, 2001
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3ICT
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![BU of 3ict by Molmil](/molmil-images/mine/3ict) | Crystal structure of reduced Bacillus anthracis CoADR-RHD | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COENZYME A, Coenzyme A-Disulfide Reductase, ... | Authors: | Wallen, J.R, Claiborne, A. | Deposit date: | 2009-07-18 | Release date: | 2009-11-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and catalytic properties of Bacillus anthracis CoADR-RHD: implications for flavin-linked sulfur trafficking. Biochemistry, 48, 2009
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3IW7
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![BU of 3iw7 by Molmil](/molmil-images/mine/3iw7) | Human p38 MAP Kinase in Complex with an Imidazo-pyridine | Descriptor: | 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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3ICW
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![BU of 3icw by Molmil](/molmil-images/mine/3icw) | Structure of a Circular Permutation on Lipase B from Candida Antartica with Bound Suicide Inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B, PHOSPHATE ION, ... | Authors: | Horton, J.R, Qian, Z, Jia, D, Lutz, S.A, Cheng, X. | Deposit date: | 2009-07-18 | Release date: | 2009-10-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural redesign of lipase B from Candida antarctica by circular permutation and incremental truncation. J.Mol.Biol., 393, 2009
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6H2J
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3FZU
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![BU of 3fzu by Molmil](/molmil-images/mine/3fzu) | IgG1 Fab characterized by H/D exchange | Descriptor: | immunoglobulin IgG1 Fab, heavy chain, light chain | Authors: | Arndt, J, Houde, D, Domeier, W, Berkowitz, S, Engen, J.R. | Deposit date: | 2009-01-26 | Release date: | 2009-03-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Characterization of IgG1 conformation and conformational dynamics by hydrogen/deuterium exchange mass spectrometry. Anal Chem, 81, 2009
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4WVE
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3GCP
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![BU of 3gcp by Molmil](/molmil-images/mine/3gcp) | Human P38 MAP Kinase in Complex with SB203580 | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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3GJ7
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3GJ1
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![BU of 3gj1 by Molmil](/molmil-images/mine/3gj1) | Non photoactivated state of PA-GFP | Descriptor: | CHLORIDE ION, Green fluorescent protein, SULFATE ION | Authors: | Henderson, J.N, Gepshtein, R, Heenan, J.R, Kallio, K, Huppert, D, Remington, S.J. | Deposit date: | 2009-03-07 | Release date: | 2009-03-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and mechanism of the photoactivatable green fluorescent protein. J.Am.Chem.Soc., 131, 2009
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6K33
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![BU of 6k33 by Molmil](/molmil-images/mine/6k33) | Structure of PSI-isiA supercomplex from Thermosynechococcus vulcanus | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Akita, F, Nagao, R, Kato, K, Shen, J.R, Miyazaki, N. | Deposit date: | 2019-05-16 | Release date: | 2020-05-20 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structure of a cyanobacterial photosystem I surrounded by octadecameric IsiA antenna proteins. Commun Biol, 3, 2020
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4WKY
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![BU of 4wky by Molmil](/molmil-images/mine/4wky) | Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmN KS2 | Descriptor: | 1,2-ETHANEDIOL, Beta-ketoacyl synthase, GLYCEROL, ... | Authors: | Cuff, M.E, Mack, J.C, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-10-03 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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3GCX
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![BU of 3gcx by Molmil](/molmil-images/mine/3gcx) | PCSK9:EGFA (pH 7.4) | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor, Proprotein convertase subtilisin/kexin type 9 | Authors: | McNutt, M.C, Kwon, H.J, Chen, C, Chen, J.R, Horton, J.D, Lagace, T.A. | Deposit date: | 2009-02-22 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Antagonism of Secreted PCSK9 Increases Low Density Lipoprotein Receptor Expression in HepG2 Cells. J.Biol.Chem., 284, 2009
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4YAR
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![BU of 4yar by Molmil](/molmil-images/mine/4yar) | 2-Hydroxyethylphosphonate dioxygenase (HEPD) E176H | Descriptor: | 2-hydroxyethylphosphonate dioxygenase, ACETATE ION, CADMIUM ION, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2015-02-17 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Common Late-Stage Intermediate in Catalysis by 2-Hydroxyethyl-phosphonate Dioxygenase and Methylphosphonate Synthase. J.Am.Chem.Soc., 137, 2015
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2HZ8
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![BU of 2hz8 by Molmil](/molmil-images/mine/2hz8) | QM/MM structure refined from NMR-structure of a single chain diiron protein | Descriptor: | De novo designed diiron protein, ZINC ION | Authors: | Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F. | Deposit date: | 2006-08-08 | Release date: | 2007-07-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement. Structure, 16, 2008
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3GCV
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![BU of 3gcv by Molmil](/molmil-images/mine/3gcv) | Human P38 MAP Kinase in Complex with RL62 | Descriptor: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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3GJ3
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3I0N
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![BU of 3i0n by Molmil](/molmil-images/mine/3i0n) | Structure of the S. pombe Nbs1 FHA/BRCT-repeat domain | Descriptor: | DNA repair and telomere maintenance protein nbs1, GLYCEROL | Authors: | Clapperton, J.A, Lloyd, J, Chapman, J.R, Jackson, S.P, Smerdon, S.J. | Deposit date: | 2009-06-25 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A supramodular FHA/BRCT-repeat architecture mediates Nbs1 adaptor function in response to DNA damage Cell(Cambridge,Mass.), 139, 2009
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3HUC
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![BU of 3huc by Molmil](/molmil-images/mine/3huc) | Human p38 MAP Kinase in Complex with RL40 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, ... | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-13 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations. J.Am.Chem.Soc., 132, 2010
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3HV7
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![BU of 3hv7 by Molmil](/molmil-images/mine/3hv7) | Human p38 MAP Kinase in Complex with RL38 | Descriptor: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-15 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
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