4O69
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![BU of 4o69 by Molmil](/molmil-images/mine/4o69) | Human cyclic GMP-AMP synthase (cGAS) in complex with sulfate ion | 分子名称: | Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION | 著者 | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | 登録日 | 2013-12-20 | 公開日 | 2014-02-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.252 Å) | 主引用文献 | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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4O6A
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![BU of 4o6a by Molmil](/molmil-images/mine/4o6a) | Mouse cyclic GMP-AMP synthase (cGAS) in complex with DNA | 分子名称: | Cyclic GMP-AMP synthase, DNA1, DNA2, ... | 著者 | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | 登録日 | 2013-12-20 | 公開日 | 2014-02-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.859 Å) | 主引用文献 | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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4OQA
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![BU of 4oqa by Molmil](/molmil-images/mine/4oqa) | Structure of Human PARP-1 bound to a DNA double strand break in complex with (2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide | 分子名称: | (2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DNA (26-MER), Poly [ADP-ribose] polymerase 1, ... | 著者 | Pascal, J.M, Steffen, J.D. | 登録日 | 2014-02-07 | 公開日 | 2014-07-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | 主引用文献 | Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors. J.Med.Chem., 57, 2014
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3PJL
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![BU of 3pjl by Molmil](/molmil-images/mine/3pjl) | The crystal structure of Tp34 bound to Co (II) ion at pH 7.5 | 分子名称: | 1,2-ETHANEDIOL, 34 kDa membrane antigen, COBALT (II) ION, ... | 著者 | Brautigam, C.A, Deka, R.K, Tomchick, D.R, Machius, M, Norgard, M.V. | 登録日 | 2010-11-10 | 公開日 | 2011-11-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Characterization of the Tp34 lipoprotein from Treponema pallidum suggests a role in transition metal homeostasis To be Published
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3Q0Z
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![BU of 3q0z by Molmil](/molmil-images/mine/3q0z) | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid | 分子名称: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, RNA-directed RNA polymerase, SULFATE ION | 著者 | Sheriff, S. | 登録日 | 2010-12-16 | 公開日 | 2011-04-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Syntheses and initial evaluation of a series of indolo-fused heterocyclic inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus. Bioorg.Med.Chem.Lett., 21, 2011
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3Q0B
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3Q0F
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![BU of 3q0f by Molmil](/molmil-images/mine/3q0f) | Crystal structure of SUVH5 SRA- methylated CHH DNA complex | 分子名称: | DNA (5'-D(*CP*TP*GP*AP*GP*GP*AP*GP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*(5CM)P*CP*TP*CP*AP*G)-3'), Histone-lysine N-methyltransferase, ... | 著者 | Eerappa, R, Simanshu, D.K, Patel, D.J. | 登録日 | 2010-12-15 | 公開日 | 2011-02-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | A dual flip-out mechanism for 5mC recognition by the Arabidopsis SUVH5 SRA domain and its impact on DNA methylation and H3K9 dimethylation in vivo. Genes Dev., 25, 2011
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3Q4T
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![BU of 3q4t by Molmil](/molmil-images/mine/3q4t) | Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dorsomorphin | 分子名称: | 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-2A, ... | 著者 | Chaikuad, A, Alfano, I, Mahajan, P, Cooper, C.D.O, Sanvitale, C, Vollmar, M, Krojer, T, Muniz, J.R.C, Raynor, J, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2010-12-24 | 公開日 | 2011-02-09 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Small Molecules Dorsomorphin and LDN-193189 Inhibit Myostatin/GDF8 Signaling and Promote Functional Myoblast Differentiation. J.Biol.Chem., 290, 2015
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3PL6
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3QAS
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![BU of 3qas by Molmil](/molmil-images/mine/3qas) | Structure of Undecaprenyl Diphosphate synthase | 分子名称: | Undecaprenyl pyrophosphate synthase | 著者 | Cao, R, Oldfield, E. | 登録日 | 2011-01-11 | 公開日 | 2011-03-09 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand-bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial Target. Chem.Biol.Drug Des., 77, 2011
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3S6W
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3SBO
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![BU of 3sbo by Molmil](/molmil-images/mine/3sbo) | Structure of E.coli GDH from native source | 分子名称: | CHLORIDE ION, NADP-specific glutamate dehydrogenase | 著者 | Gee, C.L, Zubieta, C, Echols, N, Totir, M. | 登録日 | 2011-06-06 | 公開日 | 2012-03-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.204 Å) | 主引用文献 | Macro-to-Micro Structural Proteomics: Native Source Proteins for High-Throughput Crystallization. Plos One, 7, 2012
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3PPS
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![BU of 3pps by Molmil](/molmil-images/mine/3pps) | Crystal structure of an ascomycete fungal laccase from Thielavia arenaria | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | 著者 | Kallio, J.P, Rouvinen, J, Hakulinen, N. | 登録日 | 2010-11-25 | 公開日 | 2011-05-18 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of an ascomycete fungal laccase from Thielavia arenaria--common structural features of asco-laccases. Febs J., 278, 2011
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3QYH
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![BU of 3qyh by Molmil](/molmil-images/mine/3qyh) | Crystal Structure of Co-type Nitrile Hydratase beta-H71L from Pseudomonas putida. | 分子名称: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit | 著者 | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | 登録日 | 2011-03-03 | 公開日 | 2011-03-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida. Biochemistry, 50, 2011
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3QUY
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![BU of 3quy by Molmil](/molmil-images/mine/3quy) | Structure of the mouse CD1d-BnNH-GSL-1'-iNKT TCR complex | 分子名称: | (2S,3R,4S,5R,6S)-6-[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-N-(phenylmethyl)oxane-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Li, Y, Girardi, E, Yu, E.D, Zajonc, D.M. | 登録日 | 2011-02-24 | 公開日 | 2011-06-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis. Embo J., 30, 2011
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3QZ9
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![BU of 3qz9 by Molmil](/molmil-images/mine/3qz9) | Crystal structure of Co-type nitrile hydratase beta-Y215F from Pseudomonas putida. | 分子名称: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ... | 著者 | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | 登録日 | 2011-03-04 | 公開日 | 2011-03-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida. Biochemistry, 50, 2011
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3QXD
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![BU of 3qxd by Molmil](/molmil-images/mine/3qxd) | F54C HLA-DR1 bound with CLIP peptide | 分子名称: | HLA class II histocompatibility antigen gamma chain peptide, HLA class II histocompatibility antigen, DR alpha chain, ... | 著者 | Painter, C.A, Stern, L.J. | 登録日 | 2011-03-01 | 公開日 | 2011-11-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.302 Å) | 主引用文献 | Conformational lability in the class II MHC 310 helix and adjacent extended strand dictate HLA-DM susceptibility and peptide exchange. Proc.Natl.Acad.Sci.USA, 108, 2011
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3QXW
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3S04
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3SAD
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![BU of 3sad by Molmil](/molmil-images/mine/3sad) | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-mehtylphenyl)-2,4-dioxobutanoic acid inhibitor | 分子名称: | 4-(2-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | 著者 | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | 登録日 | 2011-06-02 | 公開日 | 2012-11-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
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3RVI
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3SAO
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![BU of 3sao by Molmil](/molmil-images/mine/3sao) | The Siderocalin Ex-FABP functions through dual ligand specificities | 分子名称: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 2,3-DIHYDROXY-BENZOIC ACID, Extracellular fatty acid-binding protein, ... | 著者 | Correnti, C, Strong, R.K, Clifton, M.C. | 登録日 | 2011-06-03 | 公開日 | 2011-12-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Galline Ex-FABP Is an Antibacterial Siderocalin and a Lysophosphatidic Acid Sensor Functioning through Dual Ligand Specificities. Structure, 19, 2011
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3SAZ
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![BU of 3saz by Molmil](/molmil-images/mine/3saz) | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor | 分子名称: | 4-(3-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | 著者 | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | 登録日 | 2011-06-03 | 公開日 | 2012-11-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
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3R30
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![BU of 3r30 by Molmil](/molmil-images/mine/3r30) | MK2 kinase bound to Compound 2 | 分子名称: | 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid, MAP kinase-activated protein kinase 2 | 著者 | Oubrie, A, Fisher, M. | 登録日 | 2011-03-15 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3R3M
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