2XUE
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![BU of 2xue by Molmil](/molmil-images/mine/2xue) | CRYSTAL STRUCTURE OF JMJD3 | 分子名称: | 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | 著者 | Chung, C, Rowland, P, Mosley, J, Thomas, P.J. | 登録日 | 2010-10-19 | 公開日 | 2011-12-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response Nature, 488, 2012
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8RU1
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![BU of 8ru1 by Molmil](/molmil-images/mine/8ru1) | Chromatin remodeling regulator CECR2 with in crystallo disulfide bond | 分子名称: | Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION | 著者 | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2024-01-29 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
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8RU5
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![BU of 8ru5 by Molmil](/molmil-images/mine/8ru5) | ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E | 分子名称: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2 | 著者 | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2024-01-30 | 公開日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
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2XML
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![BU of 2xml by Molmil](/molmil-images/mine/2xml) | Crystal structure of human JMJD2C catalytic domain | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4C, ... | 著者 | Yue, W.W, Gileadi, C, Krojer, T, Pike, A.C.W, von Delft, F, Ng, S, Carpenter, L, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | 登録日 | 2010-07-28 | 公開日 | 2010-09-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family. J.Biol.Chem., 286, 2011
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4O42
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![BU of 4o42 by Molmil](/molmil-images/mine/4o42) | Tandem chromodomains of human CHD1 in complex with influenza NS1 C-terminal tail dimethylated at K229 | 分子名称: | Chromodomain-helicase-DNA-binding protein 1, GLYCEROL, Nonstructural protein 1, ... | 著者 | Qin, S, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2013-12-18 | 公開日 | 2014-04-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1. Nat Commun, 5, 2014
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5E1M
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![BU of 5e1m by Molmil](/molmil-images/mine/5e1m) | Crystal structure of NTMT1 in complex with PPKRIA peptide | 分子名称: | GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ... | 著者 | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2015-09-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis for substrate recognition by the human N-terminal methyltransferase 1. Genes Dev., 29, 2015
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5E2A
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![BU of 5e2a by Molmil](/molmil-images/mine/5e2a) | Crystal structure of NTMT1 in complex with N-terminally methylated SPKRIA peptide | 分子名称: | GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ... | 著者 | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2015-09-30 | 公開日 | 2015-10-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis for substrate recognition by the human N-terminal methyltransferase 1. Genes Dev., 29, 2015
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4FL6
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![BU of 4fl6 by Molmil](/molmil-images/mine/4fl6) | Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215 | 分子名称: | Lethal(3)malignant brain tumor-like protein 3, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} | 著者 | Zhong, N, Tempel, W, Ravichandran, M, Dong, A, Ingerman, L.A, Graslund, S, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-06-14 | 公開日 | 2012-06-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain. Nat. Chem. Biol., 9, 2013
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2XIJ
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![BU of 2xij by Molmil](/molmil-images/mine/2xij) | Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXYADENOSINE, ... | 著者 | Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Vollmar, M, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | 登録日 | 2010-06-30 | 公開日 | 2010-09-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation. J.Biol.Chem., 285, 2010
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2XSQ
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![BU of 2xsq by Molmil](/molmil-images/mine/2xsq) | Crystal structure of human Nudix motif 16 (NUDT16) in complex with IMP and magnesium | 分子名称: | CHLORIDE ION, INOSINIC ACID, MAGNESIUM ION, ... | 著者 | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van den Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P. | 登録日 | 2010-09-29 | 公開日 | 2010-11-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Structural Basis for the Specificity of Human Nudt16 and its Regulation by Inosine Monophosphate. Plos One, 10, 2015
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5K5F
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![BU of 5k5f by Molmil](/molmil-images/mine/5k5f) | NMR structure of the HLTF HIRAN domain | 分子名称: | Helicase-like transcription factor | 著者 | Bezsonova, I, Neculai, D, Korzhnev, D, Weigelt, J, Bountra, C, Edwards, A, Arrowsmith, C, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-05-23 | 公開日 | 2016-06-08 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of the HLTF HIRAN domain To Be Published
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5EAP
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![BU of 5eap by Molmil](/molmil-images/mine/5eap) | Crystal structure of human WDR5 in complex with compound 9e | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2015-10-16 | 公開日 | 2015-11-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
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4UF0
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![BU of 4uf0 by Molmil](/molmil-images/mine/4uf0) | Crystal structure of JmjC domain of human histone demethylase UTY in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid. | 分子名称: | 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, FE (II) ION, ... | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Tobias, K, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | 登録日 | 2014-12-22 | 公開日 | 2015-01-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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4UUU
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![BU of 4uuu by Molmil](/molmil-images/mine/4uuu) | 1.7 A resolution structure of human cystathionine beta-synthase regulatory domain (del 516-525) in complex with SAM | 分子名称: | 1,2-ETHANEDIOL, CYSTATHIONINE BETA-SYNTHASE, S-ADENOSYLMETHIONINE | 著者 | Kopec, J, McCorvie, T.J, Fitzpatrick, F, Strain-Damerell, C, Froese, D.S, Tallant, C, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | 登録日 | 2014-07-31 | 公開日 | 2014-08-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation. J.Biol.Chem., 289, 2014
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4O61
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![BU of 4o61 by Molmil](/molmil-images/mine/4o61) | Structure of human ALKBH5 crystallized in the presence of citrate | 分子名称: | CITRIC ACID, GLYCEROL, RNA demethylase ALKBH5, ... | 著者 | Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2013-12-20 | 公開日 | 2014-02-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation. J.Biol.Chem., 289, 2014
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4O46
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![BU of 4o46 by Molmil](/molmil-images/mine/4o46) | 14-3-3-gamma in complex with influenza NS1 C-terminal tail phosphorylated at S228 | 分子名称: | 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ... | 著者 | Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2013-12-18 | 公開日 | 2014-04-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1. Nat Commun, 5, 2014
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4OGI
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![BU of 4ogi by Molmil](/molmil-images/mine/4ogi) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor BI-2536 | 分子名称: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Jose, B, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-01-16 | 公開日 | 2014-02-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Dual kinase-bromodomain inhibitors for rationally designed polypharmacology. Nat.Chem.Biol., 10, 2014
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6ZGX
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![BU of 6zgx by Molmil](/molmil-images/mine/6zgx) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGY
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![BU of 6zgy by Molmil](/molmil-images/mine/6zgy) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGW
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![BU of 6zgw by Molmil](/molmil-images/mine/6zgw) | Structure of human galactokinase 1 bound with (4-chlorophenyl)methyl pyridine-3-carboxylate | 分子名称: | (4-chlorophenyl)methyl pyridine-3-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGV
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![BU of 6zgv by Molmil](/molmil-images/mine/6zgv) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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3H9U
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![BU of 3h9u by Molmil](/molmil-images/mine/3h9u) | S-adenosyl homocysteine hydrolase (SAHH) from Trypanosoma brucei | 分子名称: | ADENOSINE, Adenosylhomocysteinase, GLYCEROL, ... | 著者 | Siponen, M.I, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh Nielsen, T, Kotenyova, T, Kotzsch, A, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schueler, H, Structural Genomics Consortium (SGC) | 登録日 | 2009-04-30 | 公開日 | 2009-09-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of S-adenosyl homocysteine hydrolase (SAHH) from Trypanosoma brucei To be Published
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3GZD
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![BU of 3gzd by Molmil](/molmil-images/mine/3gzd) | Human selenocysteine lyase, P1 crystal form | 分子名称: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, NITRATE ION, Selenocysteine lyase | 著者 | Karlberg, T, Hogbom, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | 登録日 | 2009-04-07 | 公開日 | 2009-04-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Biochemical discrimination between selenium and sulfur 1: a single residue provides selenium specificity to human selenocysteine lyase. Plos One, 7, 2012
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2XN4
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![BU of 2xn4 by Molmil](/molmil-images/mine/2xn4) | Crystal structure of the kelch domain of human KLHL2 (Mayven) | 分子名称: | 1,2-ETHANEDIOL, KELCH-LIKE PROTEIN 2, SODIUM ION, ... | 著者 | Canning, P, Hozjan, V, Cooper, C.D.O, Ayinampudi, V, Vollmar, M, Pike, A.C.W, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2010-07-30 | 公開日 | 2010-08-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases. J.Biol.Chem., 288, 2013
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2XDV
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![BU of 2xdv by Molmil](/molmil-images/mine/2xdv) | Crystal Structure of the Catalytic Domain of FLJ14393 | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ... | 著者 | Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U. | 登録日 | 2010-05-07 | 公開日 | 2010-05-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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