5C3H
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![BU of 5c3h by Molmil](/molmil-images/mine/5c3h) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1 | 分子名称: | 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-17 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C7A
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![BU of 5c7a by Molmil](/molmil-images/mine/5c7a) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7 | 分子名称: | (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-24 | 公開日 | 2015-08-12 | 最終更新日 | 2015-09-09 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C83
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![BU of 5c83 by Molmil](/molmil-images/mine/5c83) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | 分子名称: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-25 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C7D
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![BU of 5c7d by Molmil](/molmil-images/mine/5c7d) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 17 | 分子名称: | (2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-24 | 公開日 | 2015-08-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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3I9U
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![BU of 3i9u by Molmil](/molmil-images/mine/3i9u) | Crystal structure of the rat heme oxygenase (HO-1) in complex with heme binding dithioerythritol (DTE) | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Matsui, T, Unno, M, Ikeda-Saito, M. | 登録日 | 2009-07-13 | 公開日 | 2010-05-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Dioxygen activation for the self-degradation of heme: reaction mechanism and regulation of heme oxygenase. Inorg.Chem., 49, 2010
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3I8R
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![BU of 3i8r by Molmil](/molmil-images/mine/3i8r) | Crystal structure of the heme oxygenase from Corynebacterium diphtheriae (HmuO) in complex with heme binding ditiothreitol (DTT) | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Matsui, T, Unno, M, Ikeda-Saito, M. | 登録日 | 2009-07-10 | 公開日 | 2010-05-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Dioxygen activation for the self-degradation of heme: reaction mechanism and regulation of heme oxygenase. Inorg.Chem., 49, 2010
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3AAD
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![BU of 3aad by Molmil](/molmil-images/mine/3aad) | Structure of the histone chaperone CIA/ASF1-double bromodomain complex linking histone modifications and site-specific histone eviction | 分子名称: | Histone chaperone ASF1A, SULFATE ION, Transcription initiation factor TFIID subunit 1 | 著者 | Akai, Y, Adachi, N, Hayashi, Y, Eitoku, M, Sano, N, Natsume, R, Kudo, N, Tanokura, M, Senda, T, Horikoshi, M. | 登録日 | 2009-11-16 | 公開日 | 2010-04-28 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structure of the histone chaperone CIA/ASF1-double bromodomain complex linking histone modifications and site-specific histone eviction Proc.Natl.Acad.Sci.USA, 107, 2010
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3ASX
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![BU of 3asx by Molmil](/molmil-images/mine/3asx) | Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid | 分子名称: | (3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid, PHOSPHATE ION, Squalene synthase | 著者 | Shimizu, H, Suzuki, M, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H. | 登録日 | 2010-12-22 | 公開日 | 2011-12-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors Bioorg.Med.Chem., 19, 2011
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3QXM
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![BU of 3qxm by Molmil](/molmil-images/mine/3qxm) | Crystal Structure of Human GluK2 Ligand-Binding Core in Complex with Novel Marine-Derived Toxins, Neodysiherbaine A | 分子名称: | (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, Glutamate receptor ionotropic, kainate 2 | 著者 | Unno, M, Sasaki, M, Ikeda-Saito, M. | 登録日 | 2011-03-02 | 公開日 | 2011-10-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
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2ZNS
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![BU of 2zns by Molmil](/molmil-images/mine/2zns) | Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with glutamate | 分子名称: | GLUTAMIC ACID, Glutamate receptor, ionotropic kainate 1 | 著者 | Unno, M, Sasaki, M, Ikeda-Saito, M. | 登録日 | 2008-05-01 | 公開日 | 2009-05-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
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2ZNU
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![BU of 2znu by Molmil](/molmil-images/mine/2znu) | Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, neodysiherbaine A | 分子名称: | (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, BETA-MERCAPTOETHANOL, Glutamate receptor, ... | 著者 | Unno, M, Sasaki, M, Ikeda-Saito, M. | 登録日 | 2008-05-01 | 公開日 | 2009-05-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
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2ZNT
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![BU of 2znt by Molmil](/molmil-images/mine/2znt) | Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, dysiherbaine | 分子名称: | (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, BETA-MERCAPTOETHANOL, Glutamate receptor, ... | 著者 | Unno, M, Sasaki, M, Ikeda-Saito, M. | 登録日 | 2008-05-01 | 公開日 | 2009-05-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
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5EZU
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![BU of 5ezu by Molmil](/molmil-images/mine/5ezu) | Crystal structure of the N-terminal domain of vaccinia virus immunomodulator A46 in complex with myristic acid. | 分子名称: | MYRISTIC ACID, Protein A46 | 著者 | Fedosyuk, S, Bezerra, G.A, Sammito, M, Uson, I, Skern, T. | 登録日 | 2015-11-26 | 公開日 | 2016-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Vaccinia Virus Immunomodulator A46: A Lipid and Protein-Binding Scaffold for Sequestering Host TIR-Domain Proteins. PLoS Pathog., 12, 2016
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5G0I
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![BU of 5g0i by Molmil](/molmil-images/mine/5g0i) | Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) in complex with Nexturastat A | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, HDAC6, ... | 著者 | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | 登録日 | 2016-03-18 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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5G0F
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![BU of 5g0f by Molmil](/molmil-images/mine/5g0f) | Crystal structure of Danio rerio HDAC6 ZnF-UBP domain | 分子名称: | GLYCINE, HDAC6, NICKEL (II) ION, ... | 著者 | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | 登録日 | 2016-03-18 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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5G0H
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![BU of 5g0h by Molmil](/molmil-images/mine/5g0h) | Crystal structure of Danio rerio HDAC6 CD2 in complex with (S)- trichostatin A | 分子名称: | 1,2-ETHANEDIOL, HDAC6, POTASSIUM ION, ... | 著者 | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | 登録日 | 2016-03-18 | 公開日 | 2016-07-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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5G0J
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![BU of 5g0j by Molmil](/molmil-images/mine/5g0j) | Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker intact) in complex with Nexturastat A | 分子名称: | CHLORIDE ION, HDAC6, NEXTURASTAT A, ... | 著者 | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | 登録日 | 2016-03-18 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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2Z68
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![BU of 2z68 by Molmil](/molmil-images/mine/2z68) | Crystal Structure Of An Artificial Metalloprotein: Cr[N-salicylidene-4-amino-3-hydroxyhydrocinnamic acid]/Wild Type Heme oxygenase | 分子名称: | Heme oxygenase, SODIUM ION, SULFATE ION, ... | 著者 | Yokoi, N, Unno, M, Ueno, T, Ikeda-Saito, M, Watanabe, Y. | 登録日 | 2007-07-24 | 公開日 | 2007-08-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Ligand design for improvement of thermal stabilityof metal complex/protein hybrids To be Published
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2Z6T
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![BU of 2z6t by Molmil](/molmil-images/mine/2z6t) | Crystal structure of the ferric peroxo myoglobin | 分子名称: | Myoglobin, PEROXIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Unno, M, Kusama, S, Chen, H, Shaik, S, Ikeda-Saito, M. | 登録日 | 2007-08-08 | 公開日 | 2007-11-06 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural Characterization of the Fleeting Ferric Peroxo Species in Myoglobin: Experiment and Theory J.Am.Chem.Soc., 129, 2007
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2Z6S
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![BU of 2z6s by Molmil](/molmil-images/mine/2z6s) | Crystal structure of the oxy myoglobin free from X-ray-induced photoreduction | 分子名称: | Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Unno, M, Kusama, S, Chen, H, Shaik, S, Ikeda-Saito, M. | 登録日 | 2007-08-08 | 公開日 | 2007-11-06 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structural Characterization of the Fleeting Ferric Peroxo Species in Myoglobin: Experiment and Theory J.Am.Chem.Soc., 129, 2007
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5G0G
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![BU of 5g0g by Molmil](/molmil-images/mine/5g0g) | Crystal structure of Danio rerio HDAC6 CD1 in complex with trichostatin A | 分子名称: | CHLORIDE ION, HDAC6, SODIUM ION, ... | 著者 | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | 登録日 | 2016-03-18 | 公開日 | 2016-07-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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1AZX
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![BU of 1azx by Molmil](/molmil-images/mine/1azx) | ANTITHROMBIN/PENTASACCHARIDE COMPLEX | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, ANTITHROMBIN | 著者 | Jin, L, Abrahams, J.P, Skinner, R, Petitou, M, Pike, R.N, Carrell, R.W. | 登録日 | 1997-11-23 | 公開日 | 1999-01-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The anticoagulant activation of antithrombin by heparin. Proc.Natl.Acad.Sci.USA, 94, 1997
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1IW1
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![BU of 1iw1 by Molmil](/molmil-images/mine/1iw1) | Crystal structure of a heme oxygenase (HmuO) from Corynebacterium diphtheriae complexed with heme in the ferrous state | 分子名称: | Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Hirotsu, S, Unno, M, Chu, G.C, Lee, D.S, Park, S.Y, Shiro, Y, Ikeda-Saito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2002-04-04 | 公開日 | 2003-04-04 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The crystal structures of the ferric and ferrous forms of the heme complex of HmuO, a heme oxygenase of Corynebacterium diphtheriae. J.Biol.Chem., 279, 2004
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1IW0
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![BU of 1iw0 by Molmil](/molmil-images/mine/1iw0) | Crystal structure of a heme oxygenase (HmuO) from Corynebacterium diphtheriae complexed with heme in the ferric state | 分子名称: | Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Hirotsu, S, Unno, M, Chu, G.C, Lee, D.S, Park, S.Y, Shiro, Y, Ikeda-Saito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2002-04-04 | 公開日 | 2003-04-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The crystal structures of the ferric and ferrous forms of the heme complex of HmuO, a heme oxygenase of Corynebacterium diphtheriae. J.Biol.Chem., 279, 2004
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3Q2Z
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![BU of 3q2z by Molmil](/molmil-images/mine/3q2z) | Human Squalene synthase in complex with N-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]-L-aspartic acid | 分子名称: | N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid, PHOSPHATE ION, Squalene synthase | 著者 | Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H. | 登録日 | 2010-12-21 | 公開日 | 2011-12-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors Bioorg.Med.Chem., 19, 2011
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