2YBP
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![BU of 2ybp by Molmil](/molmil-images/mine/2ybp) | JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE AND HISTONE H3K36me3 PEPTIDE (30-41) | 分子名称: | (2R)-2-hydroxypentanedioic acid, GLYCEROL, HISTONE H3.1T, ... | 著者 | Chowdhury, R, McDonough, M.A, Schofield, C.J. | 登録日 | 2011-03-09 | 公開日 | 2011-03-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases. EMBO Rep., 12, 2011
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2Y34
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7VCE
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![BU of 7vce by Molmil](/molmil-images/mine/7vce) | Structural studies of human inositol monophosphatase-1 inhibition by ebselen | 分子名称: | Inositol monophosphatase 1 | 著者 | Abuhammad, A, Laurieri, N, Rice, A, Lowe, E.D, McDonough, M.A, Singh, N, Churchill, G.C. | 登録日 | 2021-09-02 | 公開日 | 2022-09-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and biochemical analysis of human inositol monophosphatase-1 inhibition by ebselen. J.Biomol.Struct.Dyn., 2023
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3VV8
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![BU of 3vv8 by Molmil](/molmil-images/mine/3vv8) | Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one | 分子名称: | 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL | 著者 | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | 登録日 | 2012-07-17 | 公開日 | 2012-10-24 | 最終更新日 | 2013-09-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode. J.Med.Chem., 55, 2012
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3T3Y
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3OD4
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![BU of 3od4 by Molmil](/molmil-images/mine/3od4) | Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor | 分子名称: | 8-hydroxyquinoline-5-carboxylic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | 著者 | King, O.N.F, Bashford-Rogers, R, Maloney, D.J, Jadhav, A, Heightman, T.D, Simeonov, A, Clifton, I.J, McDonough, M.A, Schofield, C.J. | 登録日 | 2010-08-10 | 公開日 | 2011-07-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor To be Published
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2A1X
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![BU of 2a1x by Molmil](/molmil-images/mine/2a1x) | Human phytanoyl-coa 2-hydroxylase in complex with iron and 2-oxoglutarate | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase | 著者 | Kavanagh, K.L, McDonough, M.A, Searles, T, Butler, D, Bunkoczi, G, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2005-06-21 | 公開日 | 2005-08-16 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of Human Phytanoyl-CoA 2-Hydroxylase Identifies Molecular Mechanisms of Refsum Disease J.Biol.Chem., 280, 2005
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3VV7
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![BU of 3vv7 by Molmil](/molmil-images/mine/3vv7) | Crystal Structure of beta secetase in complex with 2-amino-6-((1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl)-3-methylpyrimidin-4(3H)-one | 分子名称: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | 著者 | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | 登録日 | 2012-07-17 | 公開日 | 2012-10-24 | 最終更新日 | 2013-09-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode. J.Med.Chem., 55, 2012
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3RVH
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![BU of 3rvh by Molmil](/molmil-images/mine/3rvh) | Crystal Structure of JMJD2A Complexed with Inhibitor | 分子名称: | 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid, GLYCEROL, Lysine-specific demethylase 4A, ... | 著者 | King, O.N.F, Maloney, D.J, Tumber, A, Rai, G, Jadhav, A, Clifton, I.J, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | 登録日 | 2011-05-06 | 公開日 | 2012-05-09 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | 主引用文献 | Crystal Structure of JMJD2A Complexed with Inhibitor To be Published
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4NJ4
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![BU of 4nj4 by Molmil](/molmil-images/mine/4nj4) | Crystal Structure of Human ALKBH5 | 分子名称: | GLYCEROL, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ... | 著者 | Aik, W.S, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-11-08 | 公開日 | 2014-01-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Structure of human RNA N6-methyladenine demethylase ALKBH5 provides insights into its mechanisms of nucleic acid recognition and demethylation. Nucleic Acids Res., 42, 2014
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3HQR
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![BU of 3hqr by Molmil](/molmil-images/mine/3hqr) | PHD2:Mn:NOG:HIF1-alpha substrate complex | 分子名称: | Egl nine homolog 1, Hypoxia-inducible factor 1 alpha, MANGANESE (II) ION, ... | 著者 | Chowdhury, R, McDonough, M.A, Schofield, C.J. | 登録日 | 2009-06-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases Structure, 17, 2009
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1KQK
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![BU of 1kqk by Molmil](/molmil-images/mine/1kqk) | Solution Structure of the N-terminal Domain of a Potential Copper-translocating P-type ATPase from Bacillus subtilis in the Cu(I)loaded State | 分子名称: | COPPER (I) ION, POTENTIAL COPPER-TRANSPORTING ATPASE | 著者 | Banci, L, Bertini, I, Ciofi-Baffoni, S, D'Onofrio, M, Gonnelli, L, Marhuenda-Egea, F.C, Ruiz-Duenas, F.J. | 登録日 | 2002-01-07 | 公開日 | 2002-04-17 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the N-terminal domain of a potential copper-translocating P-type ATPase from Bacillus subtilis in the apo and Cu(I) loaded states. J.Mol.Biol., 317, 2002
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4JAA
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![BU of 4jaa by Molmil](/molmil-images/mine/4jaa) | Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)LEU peptide | 分子名称: | CONSENSUS ANKYRIN REPEAT DOMAIN-(d)LEU, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | 著者 | Scotti, J.S, Ge, W, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-02-18 | 公開日 | 2014-02-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structure of an oxygenase in complex with substrate To be Published
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4PVO
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![BU of 4pvo by Molmil](/molmil-images/mine/4pvo) | Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ... | 著者 | Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2014-03-18 | 公開日 | 2014-11-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition. Nat.Chem., 6, 2014
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2WA3
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![BU of 2wa3 by Molmil](/molmil-images/mine/2wa3) | FACTOR INHIBITING HIF-1 ALPHA WITH 2-(3-hydroxyphenyl)-2-oxoacetic acid | 分子名称: | 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR | 著者 | Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | 登録日 | 2009-02-02 | 公開日 | 2010-04-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor. Bioorg. Med. Chem. Lett., 20, 2010
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3HQU
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![BU of 3hqu by Molmil](/molmil-images/mine/3hqu) | PHD2:Fe:UN9:partial HIF1-alpha substrate complex | 分子名称: | Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ... | 著者 | Chowdhury, R, McDonough, M.A, Schofield, C.J. | 登録日 | 2009-06-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases Structure, 17, 2009
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2WWU
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![BU of 2wwu by Molmil](/molmil-images/mine/2wwu) | Crystal structure of the catalytic domain of PHD finger protein 8 | 分子名称: | ACETATE ION, NICKEL (II) ION, PHD FINGER PROTEIN 8, ... | 著者 | Yue, W.W, Hozjan, V, Cooper, C, Tumber, A, Krojer, T, Muniz, J, Allerston, C, Salah, E, McDonough, M.A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C.J, Kavanagh, K.L, Oppermann, U. | 登録日 | 2009-10-29 | 公開日 | 2009-11-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase. FEBS Lett., 584, 2010
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3WB5
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![BU of 3wb5 by Molmil](/molmil-images/mine/3wb5) | Crystal Structure of beta secetase in complex with (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4,5,6-tetrahydropyrimidin-4-one | 分子名称: | (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | 登録日 | 2013-05-13 | 公開日 | 2013-10-02 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations Bioorg.Med.Chem., 21, 2013
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4QHO
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![BU of 4qho by Molmil](/molmil-images/mine/4qho) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with CCO10 | 分子名称: | Alpha-ketoglutarate-dependent dioxygenase FTO, N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine, ZINC ION | 著者 | Aik, W.S, Clunie-O'Connor, C, McDonough, M.A, Schofield, C.J. | 登録日 | 2014-05-28 | 公開日 | 2015-06-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors. J.Med.Chem., 64, 2021
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4PVT
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![BU of 4pvt by Molmil](/molmil-images/mine/4pvt) | Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302F | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | 著者 | Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2014-03-18 | 公開日 | 2014-11-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition. Nat.Chem., 6, 2014
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3WB4
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![BU of 3wb4 by Molmil](/molmil-images/mine/3wb4) | Crystal Structure of beta secetase in complex with 2-amino-3,6-dimethyl-6-(2-phenylethyl)-3,4,5,6-tetrahydropyrimidin-4-one | 分子名称: | (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | 著者 | Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | 登録日 | 2013-05-13 | 公開日 | 2013-10-02 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations Bioorg.Med.Chem., 21, 2013
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1OPH
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![BU of 1oph by Molmil](/molmil-images/mine/1oph) | NON-COVALENT COMPLEX BETWEEN ALPHA-1-PI-PITTSBURGH AND S195A TRYPSIN | 分子名称: | Alpha-1-antitrypsin precursor, Trypsinogen, cationic precursor | 著者 | Dementiev, A, Simonovic, M, Volz, K, Gettins, P.G. | 登録日 | 2003-03-05 | 公開日 | 2003-08-05 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Canonical inhibitor-like interactions explain reactivity of alpha1-proteinase inhibitor Pittsburgh and antithrombin with proteinases J.Biol.Chem., 278, 2003
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3HJL
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![BU of 3hjl by Molmil](/molmil-images/mine/3hjl) | The structure of full-length FliG from Aquifex aeolicus | 分子名称: | Flagellar motor switch protein fliG | 著者 | Lee, L.K, Ginsburg, M.A, Crovace, C, Donohoe, M, Stock, D. | 登録日 | 2009-05-22 | 公開日 | 2010-08-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the torque ring of the flagellar motor and the molecular basis for rotational switching Nature, 466, 2010
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3HL2
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![BU of 3hl2 by Molmil](/molmil-images/mine/3hl2) | The crystal structure of the human SepSecS-tRNASec complex | 分子名称: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Monothiophosphate, O-phosphoseryl-tRNA(Sec) selenium transferase, ... | 著者 | Palioura, S, Steitz, T.A, Soll, D, Simonovic, M. | 登録日 | 2009-05-26 | 公開日 | 2009-10-06 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | The human SepSecS-tRNASec complex reveals the mechanism of selenocysteine formation. Science, 325, 2009
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4GD4
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![BU of 4gd4 by Molmil](/molmil-images/mine/4gd4) | Crystal Structure of JMJD2A Complexed with Inhibitor | 分子名称: | 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ... | 著者 | King, O.N.F, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, McDonough, M.A, Schofield, C.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-07-31 | 公開日 | 2012-08-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Crystal Structure of JMJD2A Complexed with Inhibitor TO BE PUBLISHED
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