4JTH
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![BU of 4jth by Molmil](/molmil-images/mine/4jth) | Crystal structure of F114R/R117Q mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ... | Authors: | Allison, T.M, Cochrane, F.C, Jameson, G.B, Parker, E.J. | Deposit date: | 2013-03-23 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Examining the Role of Intersubunit Contacts in Catalysis by 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthase. Biochemistry, 52, 2013
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4JUM
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![BU of 4jum by Molmil](/molmil-images/mine/4jum) | Crystal structure of H5N1 influenza virus hemagglutinin, clade 4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | Deposit date: | 2013-03-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | To be published To be Published
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4J6A
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![BU of 4j6a by Molmil](/molmil-images/mine/4j6a) | Crystal structure of Ribonuclease A soaked in 40% 2,2,2-Trifluoroethanol: One of twelve in MSCS set | Descriptor: | Ribonuclease pancreatic, SULFATE ION, TRIFLUOROETHANOL | Authors: | Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C. | Deposit date: | 2013-02-11 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | DRoP: A program for analysis of water structure on protein surfaces to be published
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4J6J
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4J53
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![BU of 4j53 by Molmil](/molmil-images/mine/4j53) | Crystal structure of PLK1 in complex with TAK-960 | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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4J5C
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![BU of 4j5c by Molmil](/molmil-images/mine/4j5c) | Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J5O
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4J88
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![BU of 4j88 by Molmil](/molmil-images/mine/4j88) | Dark-state structure of sfGFP containing the unnatural amino acid p-azido-phenylalanine at residue 66 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ... | Authors: | Reddington, S.C, Jones, D.D, Rizkallah, P.J, Tippmann, E.M. | Deposit date: | 2013-02-14 | Release date: | 2013-06-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Different Photochemical Events of a Genetically Encoded Phenyl Azide Define and Modulate GFP Fluorescence. Angew.Chem.Int.Ed.Engl., 52, 2013
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4J6M
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4J75
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![BU of 4j75 by Molmil](/molmil-images/mine/4j75) | Crystal Structure of a parasite tRNA synthetase, product-bound | Descriptor: | GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase | Authors: | Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-02-12 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design. Mol.Biochem.Parasitol., 189, 2013
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4J9C
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4J8M
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![BU of 4j8m by Molmil](/molmil-images/mine/4j8m) | Aurora A in complex with CD532 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea, Aurora kinase A, ... | Authors: | Meyerowitz, J.G, Gustafson, W.C, Shokat, K.M, Weiss, W.A. | Deposit date: | 2013-02-14 | Release date: | 2014-09-10 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.853 Å) | Cite: | Drugging MYCN through an Allosteric Transition in Aurora Kinase A. Cancer Cell, 26, 2014
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4JC6
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![BU of 4jc6 by Molmil](/molmil-images/mine/4jc6) | Mercury activation of the plant aquaporin SoPIP2;1 - structural and functional characterization | Descriptor: | Aquaporin, CADMIUM ION, MERCURY (II) ION, ... | Authors: | Frick, A, Jarva, M, Nyblom, M, Ekvall, M, Uzdavinys, P, Tornroth-Horsefield, S. | Deposit date: | 2013-02-21 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | Mercury increases water permeability of a plant aquaporin through a non-cysteine-related mechanism. Biochem.J., 454, 2013
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4JCZ
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![BU of 4jcz by Molmil](/molmil-images/mine/4jcz) | Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis | Descriptor: | Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ... | Authors: | Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z. | Deposit date: | 2013-02-22 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM. J.Biol.Chem., 289, 2014
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4JFD
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![BU of 4jfd by Molmil](/molmil-images/mine/4jfd) | Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | Deposit date: | 2013-02-28 | Release date: | 2013-05-29 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
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3GWZ
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![BU of 3gwz by Molmil](/molmil-images/mine/3gwz) | Structure of the Mitomycin 7-O-methyltransferase MmcR | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MmcR, ... | Authors: | Singh, S, Chang, A, Bingman, C.A, Phillips Jr, G.N, Thorson, J.S. | Deposit date: | 2009-04-01 | Release date: | 2010-04-07 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural characterization of the mitomycin 7-O-methyltransferase. Proteins, 79, 2011
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3CFM
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4JNQ
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3CIN
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4JQZ
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![BU of 4jqz by Molmil](/molmil-images/mine/4jqz) | Human procaspase-3, crystal form 2 | Descriptor: | Procaspase-3 | Authors: | Thomsen, N.D, Wells, J.A. | Deposit date: | 2013-03-20 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.889 Å) | Cite: | Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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2QEU
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4J5E
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![BU of 4j5e by Molmil](/molmil-images/mine/4j5e) | Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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2QDR
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4J6I
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![BU of 4j6i by Molmil](/molmil-images/mine/4j6i) | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform | Descriptor: | 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Rouge, L, Wu, P. | Deposit date: | 2013-02-11 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform. Bioorg.Med.Chem.Lett., 23, 2013
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2QEA
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![BU of 2qea by Molmil](/molmil-images/mine/2qea) | |