5A5J
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![BU of 5a5j by Molmil](/molmil-images/mine/5a5j) | Cytochrome 2C9 P450 inhibitor complex | 分子名称: | CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Skerratt, S.E, de Groot, M.J, Phillips, C. | 登録日 | 2015-06-18 | 公開日 | 2016-08-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar. To be Published
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3MYM
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![BU of 3mym by Molmil](/molmil-images/mine/3mym) | Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin | 分子名称: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | de Serrano, V.S, D'Antonio, E.L, Franzen, S, Bowden, E.F. | 登録日 | 2010-05-10 | 公開日 | 2011-04-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin. Biochemistry, 50, 2011
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5ANO
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![BU of 5ano by Molmil](/molmil-images/mine/5ano) | Crystal structure of CDK2 processed with the CrystalDirect automated mounting and cryo-cooling technology | 分子名称: | CYCLIN-DEPENDENT KINASE 2 | 著者 | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | 登録日 | 2015-09-07 | 公開日 | 2016-04-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
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5B27
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![BU of 5b27 by Molmil](/molmil-images/mine/5b27) | The 1.02A structure of human FABP3 M20S mutant complexed with palmitic acid | 分子名称: | Fatty acid-binding protein, heart, PALMITIC ACID, ... | 著者 | Matsuoka, D, Sugiyama, S, Kakinouchi, K, Niiyama, M, Murata, M, Matsuoka, S. | 登録日 | 2016-01-12 | 公開日 | 2017-01-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | The 1.02A structure of human FABP3 M20S mutant complexed with palmitic acid. To Be Published
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3N84
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5B29
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![BU of 5b29 by Molmil](/molmil-images/mine/5b29) | The 1.28A structure of human FABP3 F16V mutant complexed with palmitic acid at room temperature | 分子名称: | Fatty acid-binding protein, heart, PALMITIC ACID | 著者 | Matsuoka, D, Sugiyama, S, Kakinouchi, K, Niiyama, M, Murata, M, Matsuoka, S. | 登録日 | 2016-01-12 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | The 1.28A structure of human FABP3 F16V mutant complexed with palmitic acid at room temperature. To Be Published
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5APD
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![BU of 5apd by Molmil](/molmil-images/mine/5apd) | Hen Egg White Lysozyme not illuminated with 0.4THz radiation | 分子名称: | LYSOZYME C, SODIUM ION | 著者 | Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G. | 登録日 | 2015-09-15 | 公開日 | 2016-01-13 | 最終更新日 | 2018-03-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal Struct.Dyn., 2, 2015
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5APM
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![BU of 5apm by Molmil](/molmil-images/mine/5apm) | Multiple capsid-stabilizing protein-RNA and protein-protein interactions revealed in a high-resolution structure of an emerging picornavirus causing neonatal sepsis | 分子名称: | VP0, VP1, VP3 | 著者 | Shakeel, S, Westerhuis, B.M, Domanska, A, Koning, R.I, Matadeen, R, Koster, A.J, Bakker, A.Q, Beaumont, T, Wolthers, K.C, Butcher, S.J. | 登録日 | 2015-09-17 | 公開日 | 2016-07-27 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Multiple Capsid-Stabilizing Interactions Revealed in a High-Resolution Structure of an Emerging Picornavirus Causing Neonatal Sepsis Nat.Commun., 7, 2016
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3MYY
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5AQX
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![BU of 5aqx by Molmil](/molmil-images/mine/5aqx) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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3MXE
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![BU of 3mxe by Molmil](/molmil-images/mine/3mxe) | Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease | 分子名称: | (5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ... | 著者 | Nalam, M.N.L, Schiffer, C.A. | 登録日 | 2010-05-07 | 公開日 | 2010-11-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones. J.Med.Chem., 53, 2010
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5B06
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![BU of 5b06 by Molmil](/molmil-images/mine/5b06) | Lysozyme (denatured by NaOD and refolded) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | 著者 | Kita, A, Morimoto, Y. | 登録日 | 2015-10-28 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An Effective Deuterium Exchange Method for Neutron Crystal Structure Analysis with Unfolding-Refolding Processes Mol Biotechnol., 58, 2016
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5B1G
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3MTF
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![BU of 3mtf by Molmil](/molmil-images/mine/3mtf) | Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor | 分子名称: | 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ... | 著者 | Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Canning, P, Krojer, T, Vollmar, M, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2010-04-30 | 公開日 | 2010-06-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A new class of small molecule inhibitor of BMP signaling. Plos One, 8, 2013
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3MTY
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![BU of 3mty by Molmil](/molmil-images/mine/3mty) | Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region A of the crystal. First step of radiation damage | 分子名称: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | 著者 | Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A. | 登録日 | 2010-05-01 | 公開日 | 2010-05-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.101 Å) | 主引用文献 | X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
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3MUR
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![BU of 3mur by Molmil](/molmil-images/mine/3mur) | Crystal Structure of the C92U mutant c-di-GMP riboswith bound to c-di-GMP | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), C92U mutant c-di-GMP riboswitch, MAGNESIUM ION, ... | 著者 | Strobel, S.A, Smith, K.D. | 登録日 | 2010-05-03 | 公開日 | 2010-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch . Biochemistry, 49, 2010
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3MVJ
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![BU of 3mvj by Molmil](/molmil-images/mine/3mvj) | Human cyclic AMP-dependent protein kinase PKA inhibitor complex | 分子名称: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Pandit, J, Vajdos, F. | 登録日 | 2010-05-04 | 公開日 | 2010-06-02 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
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3MWI
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![BU of 3mwi by Molmil](/molmil-images/mine/3mwi) | The complex crystal Structure of Urokianse and 5-nitro-1H-indole-2-amidine | 分子名称: | 5-nitro-1H-indole-2-carboximidamide, SULFATE ION, Urokinase-type plasminogen activator | 著者 | Jiang, L.G, Yu, H.Y, Yuan, C, Huang, Z.X, Huang, M.D. | 登録日 | 2010-05-06 | 公開日 | 2011-06-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | The complex crystal Structure of Urokianse and 5-nitro-1H-indole-2-amidine To be Published
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4ZRY
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4ZSG
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![BU of 4zsg by Molmil](/molmil-images/mine/4zsg) | MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR | 分子名称: | 3-amino-5-[(4-chlorophenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7 | 著者 | Tucker, J, Ogg, D.J. | 登録日 | 2015-05-13 | 公開日 | 2016-05-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site. Acta Crystallogr D Struct Biol, 72, 2016
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3MZQ
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3MUM
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![BU of 3mum by Molmil](/molmil-images/mine/3mum) | Crystal Structure of the G20A mutant c-di-GMP riboswith bound to c-di-GMP | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), G20A mutant c-di-GMP Riboswitch, MAGNESIUM ION, ... | 著者 | Strobel, S.A, Smith, K.D. | 登録日 | 2010-05-03 | 公開日 | 2010-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch . Biochemistry, 49, 2010
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3N8M
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4ZSM
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![BU of 4zsm by Molmil](/molmil-images/mine/4zsm) | BACE crystal structure with bicyclic aminothiazine fragment | 分子名称: | (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine, Beta-secretase 1, GLYCEROL | 著者 | Timm, D.E. | 登録日 | 2015-05-13 | 公開日 | 2015-06-10 | 最終更新日 | 2015-06-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
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3MZS
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![BU of 3mzs by Molmil](/molmil-images/mine/3mzs) | Crystal Structure of Cytochrome P450 CYP11A1 in complex with 22-hydroxy-cholesterol | 分子名称: | (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Cholesterol side-chain cleavage enzyme, ISOPROPYL ALCOHOL, ... | 著者 | Stout, C.D, Annalora, A, Mast, N, Pikuleva, I. | 登録日 | 2010-05-12 | 公開日 | 2010-12-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Basis for Three-step Sequential Catalysis by the Cholesterol Side Chain Cleavage Enzyme CYP11A1. J.Biol.Chem., 286, 2011
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