3ICV
 
 | | Structural Consequences of a Circular Permutation on Lipase B from Candida Antartica | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B | | Authors: | Horton, J.R, Qian, Z, Jia, D, Lutz, S, Cheng, X. | | Deposit date: | 2009-07-18 | | Release date: | 2009-10-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.49 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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6CO2
 | | Structure of an engineered protein (NUDT16TI) in complex with 53BP1 Tudor domains | | Descriptor: | NUDT16-Tudor-interacting (NUDT16TI), TP53-binding protein 1 | | Authors: | Botuyan, M.V, Thompson, J.R, Cui, G, Mer, G. | | Deposit date: | 2018-03-10 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein.
Nat. Struct. Mol. Biol., 25, 2018
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1GTK
 | | Time-resolved and static-ensemble structural chemistry of hydroxymethylbilane synthase | | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, PORPHOBILINOGEN DEAMINASE | | Authors: | Helliwell, J.R, Nieh, Y.P, Raftery, J, Cassetta, A, Habash, J, Carr, P.D, Ursby, T, Wulff, M, Thompson, A.W, Niemann, A.C, Haedener, A. | | Deposit date: | 2002-01-16 | | Release date: | 2003-01-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Time-Resolved and Static-Ensemble Structural Chemistry of Hydroxymethylbilane Synthase
Faraday Discuss., 122, 2003
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4WLB
 | | Crystal structure of RORc in complex with a partial inverse agonist compound | | Descriptor: | L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ... | | Authors: | Boenig, G, Hymowitz, S.G, Kiefer, J.R. | | Deposit date: | 2014-10-07 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | A reversed sulfonamide series of selective RORc inverse agonists.
Bioorg.Med.Chem.Lett., 24, 2014
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4WUY
 | | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | | Deposit date: | 2014-11-04 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
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3HV4
 | | Human p38 MAP Kinase in Complex with RL51 | | Descriptor: | 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | | 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 (2.6 Å) | | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
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4X3G
 | | Crystal structure of SIAH1 SINA domain in complex with a USP19 peptide | | Descriptor: | E3 ubiquitin-protein ligase SIAH1, Ubiquitin carboxyl-terminal hydrolase 19, ZINC ION | | Authors: | Walker, J.R, Dong, A, Zhang, Q, Huang, X, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-11-28 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of SIAH1 SINA domain in complex with a USP19 peptide
To be published
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4YBO
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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