5G4L
 
 | | Phloroglucinol reductase from Clostridium sp. with bound NADPH | | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN | | 著者 | Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M. | | 登録日 | 2016-05-13 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016
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4C7N
 | | Crystal Structure of the synthetic peptide iM10 in complex with the coiled-coil region of MITF | | 分子名称: | MERCURY (II) ION, MICROPHTHALMIA ASSOCIATED TRANSCRIPTION FACTOR, SYNTHETIC ALPHA-HELIX, ... | | 著者 | Wohlwend, D, Gerhardt, S, Kuekenshoener, T, Einsle, O. | | 登録日 | 2013-09-23 | | 公開日 | 2014-04-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Improving Coiled Coil Stability While Maintaining Specificity by a Bacterial Hitchhiker Selection System.
J.Struct.Biol., 186, 2014
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1HZE
 | | SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF RIBOFLAVIN SYNTHASE FROM E. COLI | | 分子名称: | RIBOFLAVIN, RIBOFLAVIN SYNTHASE ALPHA CHAIN | | 著者 | Truffault, V, Coles, M, Diercks, T, Abelmann, K, Eberhardt, S, Luettgen, H, Bacher, A, Kessler, H. | | 登録日 | 2001-01-24 | | 公開日 | 2001-09-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of the N-terminal domain of riboflavin synthase.
J.Mol.Biol., 309, 2001
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1I18
 | | SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF RIBOFLAVIN SYNTHASE FROM E. COLI | | 分子名称: | RIBOFLAVIN, RIBOFLAVIN SYNTHASE ALPHA CHAIN | | 著者 | Truffault, V, Coles, M, Diercks, T, Abelmann, K, Eberhardt, S, Luettgen, H, Bacher, A, Kessler, H. | | 登録日 | 2001-01-31 | | 公開日 | 2001-09-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of the N-terminal domain of riboflavin synthase.
J.Mol.Biol., 309, 2001
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5AR1
 | | Crystal structure of Cdc11 from Saccharomyces cerevisiae | | 分子名称: | CELL DIVISION CONTROL PROTEIN 11 | | 著者 | Brausemann, A, Gerhardt, S, Schott, A.K, Einsle, O, Grosse-Berkenbusch, A, Johnsson, N, Gronemeyer, T. | | 登録日 | 2015-09-23 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal Structure of Cdc11, a Septin Subunit from Saccharomyces Cerevisiae.
J.Struct.Biol., 193, 2016
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4HFR
 | | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017. | | 分子名称: | Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid | | 著者 | Ogg, D.J, Gerhardt, S, Hargreaves, D. | | 登録日 | 2012-10-05 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017)
J.Med.Chem., 55, 2012
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5D7O
 | | Crystal structure of Sirt2-ADPR at an improved resolution | | 分子名称: | NAD-dependent protein deacetylase sirtuin-2, TRIETHYLENE GLYCOL, ZINC ION, ... | | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | 登録日 | 2015-08-14 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
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5D7N
 | | Crystal structure of human Sirt3 at an improved resolution | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | 登録日 | 2015-08-14 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
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5D7P
 | | Crystal structure of human Sirt2 in complex with ADPR and EX-243 | | 分子名称: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | 登録日 | 2015-08-14 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
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5D7Q
 | | Crystal structure of human Sirt2 in complex with ADPR and CHIC35 | | 分子名称: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | 登録日 | 2015-08-14 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
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4A7B
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4P38
 | | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329 | | 分子名称: | 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... | | 著者 | Ogg, D, Hargreaves, D, Gerhardt, S. | | 登録日 | 2014-03-06 | | 公開日 | 2014-04-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Novel acidic 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329).
J.Med.Chem., 55, 2012
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4RMI
 | | Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | | 分子名称: | Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4RMJ
 | | Human Sirt2 in complex with ADP ribose and nicotinamide | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4RMH
 | | Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | | 分子名称: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4RIE
 | | Landomycin Glycosyltransferase LanGT2 | | 分子名称: | Glycosyl transferase homolog | | 著者 | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | | 登録日 | 2014-10-06 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.162 Å) | | 主引用文献 | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4RIF
 | | Landomycin Glycosyltransferase LanGT2, carbasugar substrate complex | | 分子名称: | 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog | | 著者 | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | | 登録日 | 2014-10-06 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4RIG
 | | Chimeric Glycosyltransferase LanGT2S8Ac | | 分子名称: | Glycosyl transferase, MAGNESIUM ION | | 著者 | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | | 登録日 | 2014-10-06 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4RIH
 | | Chimeric Glycosyltransferase LanGT2S8Ac, carbasugar substrate complex | | 分子名称: | 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION | | 著者 | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | | 登録日 | 2014-10-06 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4RII
 | | Chimeric Glycosyltransferase LanGT2S8Ac, TDP complex | | 分子名称: | Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE | | 著者 | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | | 登録日 | 2014-10-06 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4RMG
 | | Human Sirt2 in complex with SirReal2 and NAD+ | | 分子名称: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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2B99
 | | Crystal Structure of an archaeal pentameric riboflavin synthase Complex with a Substrate analog inhibitor | | 分子名称: | 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE, Riboflavin synthase | | 著者 | Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M. | | 登録日 | 2005-10-11 | | 公開日 | 2005-11-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications
J.Biol.Chem., 281, 2006
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2B98
 | | Crystal Structure of an archaeal pentameric riboflavin synthase | | 分子名称: | Riboflavin synthase | | 著者 | Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M. | | 登録日 | 2005-10-11 | | 公開日 | 2005-11-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications
J.Biol.Chem., 281, 2006
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2VV9
 | | CDK2 in complex with an imidazole piperazine | | 分子名称: | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Acton, D.G, Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Finlay, M.R, Fisher, E, Gerhardt, S, Graham, M.A, Green, C.P, Heaton, D.W, Loddick, S.A, Morgentin, R, Read, J, Roberts, A, Stanway, J, Tucker, J.A, Weir, H.M. | | 登録日 | 2008-06-04 | | 公開日 | 2008-08-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Imidazole Piperazines: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors with a Novel Binding Mode.
Bioorg.Med.Chem.Lett., 18, 2008
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