3GHU
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![BU of 3ghu by Molmil](/molmil-images/mine/3ghu) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Forth stage of radiation damage. | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | Deposit date: | 2009-03-04 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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3FTU
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![BU of 3ftu by Molmil](/molmil-images/mine/3ftu) | Leukotriene A4 hydrolase in complex with dihydroresveratrol | Descriptor: | 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, ACETATE ION, IMIDAZOLE, ... | Authors: | Davies, D.R. | Deposit date: | 2009-01-13 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
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3FY1
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![BU of 3fy1 by Molmil](/molmil-images/mine/3fy1) | The Acidic Mammalian Chitinase catalytic domain in complex with methylallosamidin | Descriptor: | 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, Acidic mammalian chitinase | Authors: | Olland, A.M. | Deposit date: | 2009-01-21 | Release date: | 2009-03-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Triad of polar residues implicated in pH specificity of acidic mammalian chitinase. Protein Sci., 18, 2009
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3FYK
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![BU of 3fyk by Molmil](/molmil-images/mine/3fyk) | Crystal structure of a benzthiophene lead bound to MAPKAP Kinase-2 (MK-2) | Descriptor: | (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, MAP kinase-activated protein kinase 2 | Authors: | Kurumbail, R.G, Caspers, N. | Deposit date: | 2009-01-22 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency. Bioorg.Med.Chem.Lett., 19, 2009
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3GA3
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![BU of 3ga3 by Molmil](/molmil-images/mine/3ga3) | Crystal structure of the C-terminal domain of human MDA5 | Descriptor: | Interferon-induced helicase C domain-containing protein 1, MDA5, ZINC ION | Authors: | Li, P. | Deposit date: | 2009-02-16 | Release date: | 2009-02-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of the C-terminal domain of human MDA5 To be Published
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3FRJ
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![BU of 3frj by Molmil](/molmil-images/mine/3frj) | Crystal Structure of 11b-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Piperidyl Benzamide Inhibitor | Descriptor: | Corticosteroid 11-beta-Dehydrogenase, Isozyme 1, N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, ... | Authors: | Wang, Z, Sudom, A, Walker, N.P. | Deposit date: | 2009-01-08 | Release date: | 2009-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and optimization of piperidyl benzamide derivatives as a novel class of 11beta-HSD1 inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3FU6
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![BU of 3fu6 by Molmil](/molmil-images/mine/3fu6) | |
3FUN
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![BU of 3fun by Molmil](/molmil-images/mine/3fun) | |
3GBK
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![BU of 3gbk by Molmil](/molmil-images/mine/3gbk) | Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with a Potent and Selective Agonist | Descriptor: | 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Peng, Y.-H, Lin, C.-H, Hsieh, H.-P, Wu, S.-Y. | Deposit date: | 2009-02-19 | Release date: | 2009-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and structural analysis of novel pharmacophores for potent and selective peroxisome proliferator-activated receptor gamma agonists J.Med.Chem., 52, 2009
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3GJ0
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![BU of 3gj0 by Molmil](/molmil-images/mine/3gj0) | Crystal structure of human RanGDP | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Partridge, J.R, Schwartz, T.U. | Deposit date: | 2009-03-07 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystallographic and Biochemical Analysis of the Ran-binding Zinc Finger Domain. J.Mol.Biol., 391, 2009
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3GJ6
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3FQH
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![BU of 3fqh by Molmil](/molmil-images/mine/3fqh) | |
3FR4
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![BU of 3fr4 by Molmil](/molmil-images/mine/3fr4) | N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors | Descriptor: | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid, Fatty acid-binding protein, adipocyte | Authors: | Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T. | Deposit date: | 2009-01-08 | Release date: | 2009-03-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3FTS
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![BU of 3fts by Molmil](/molmil-images/mine/3fts) | Leukotriene A4 hydrolase in complex with resveratrol | Descriptor: | ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ... | Authors: | Davies, D.R. | Deposit date: | 2009-01-13 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
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3FSF
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![BU of 3fsf by Molmil](/molmil-images/mine/3fsf) | P38 kinase crystal structure in complex with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | Descriptor: | 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14 | Authors: | Kuglstatter, A, Bertrand, J, Lovejoy, B. | Deposit date: | 2009-01-09 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
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3G5N
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![BU of 3g5n by Molmil](/molmil-images/mine/3g5n) | Triple ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole | Descriptor: | 1-(biphenyl-4-ylmethyl)-1H-imidazole, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | Authors: | Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D. | Deposit date: | 2009-02-05 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning. Biochemistry, 48, 2009
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3FU5
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![BU of 3fu5 by Molmil](/molmil-images/mine/3fu5) | |
3FUJ
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![BU of 3fuj by Molmil](/molmil-images/mine/3fuj) | |
3FSH
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![BU of 3fsh by Molmil](/molmil-images/mine/3fsh) | |
3FT4
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![BU of 3ft4 by Molmil](/molmil-images/mine/3ft4) | Crystal Structure of the minor histocompatibility peptide HA-1Arg in complex with HLA-A2 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Reiser, J.-B, Gras, S, Chouquet, A, Le Gorrec, M, Spierings, E, Goulmy, E, Housset, D. | Deposit date: | 2009-01-12 | Release date: | 2009-04-28 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Steric hindrance and fast dissociation explain the lack of immunogenicity of the minor histocompatibility HA-1Arg Null allele. J.Immunol., 182, 2009
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3G0U
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![BU of 3g0u by Molmil](/molmil-images/mine/3g0u) | Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 4 | Descriptor: | (2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Davis, M, Heikkila, T, McConkey, G.A, Fishwick, C.W.G, Parsons, M.R, Johnson, A.P. | Deposit date: | 2009-01-28 | Release date: | 2009-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases J.Med.Chem., 52, 2009
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3FS4
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![BU of 3fs4 by Molmil](/molmil-images/mine/3fs4) | Crystal structure determination of Ostrich hemoglobin at 2.2 Angstrom resolution | Descriptor: | Hemoglobin subunit alpha-A, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | Authors: | Sundaresan, S.S, Ramesh, P, Sivakumar, K, Ponnuswamy, M.N. | Deposit date: | 2009-01-09 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural studies of hemoglobin from two flightless birds, ostrich and turkey: insights into their differing oxygen-binding properties. Acta Crystallogr D Struct Biol, 77, 2021
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3FW1
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![BU of 3fw1 by Molmil](/molmil-images/mine/3fw1) | Quinone Reductase 2 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Winger, J.A, Hantschel, O, Superti-Furga, G, Kuriyan, J. | Deposit date: | 2009-01-16 | Release date: | 2009-03-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structure of the leukemia drug imatinib bound to human quinone reductase 2 (NQO2). Bmc Struct.Biol., 9, 2009
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3FSK
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![BU of 3fsk by Molmil](/molmil-images/mine/3fsk) | P38 kinase crystal structure in complex with RO6257 | Descriptor: | 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14 | Authors: | Kuglstatter, A, Bertrand, J, Takahara, P, Villasenor, A. | Deposit date: | 2009-01-09 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
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3FTV
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![BU of 3ftv by Molmil](/molmil-images/mine/3ftv) | |