5A0A
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A0C
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A09
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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3NJX
| Rhamnogalacturonan Lyase from Aspergillus aculeatus mutant H210A | 分子名称: | CALCIUM ION, Rhamnogalacturonase B, SULFATE ION | 著者 | Jensen, M.H, Otten, H, Christensen, U, Borchert, T.V, Christensen, L.L.H, Larsen, S, Lo Leggio, L. | 登録日 | 2010-06-18 | 公開日 | 2010-10-06 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structural and Biochemical Studies Elucidate the Mechanism of Rhamnogalacturonan Lyase from Aspergillus aculeatus. J.Mol.Biol., 404, 2010
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3NJV
| Rhamnogalacturonan lyase from Aspergillus aculeatus K150A substrate complex | 分子名称: | CALCIUM ION, Rhamnogalacturonase B, SULFATE ION, ... | 著者 | Jensen, M.H, Otten, H, Christensen, U, Borchert, T.V, Christensen, L.L.H, Larsen, S, Lo Leggio, L. | 登録日 | 2010-06-18 | 公開日 | 2010-10-06 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and Biochemical Studies Elucidate the Mechanism of Rhamnogalacturonan Lyase from Aspergillus aculeatus. J.Mol.Biol., 404, 2010
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6S77
| Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183 | 分子名称: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid, Histone-arginine methyltransferase CARM1 | 著者 | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | 登録日 | 2019-07-04 | 公開日 | 2020-03-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4). Biochem.J., 477, 2020
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6S7C
| Crystal structure of CARM1 in complex with inhibitor UM079 | 分子名称: | 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine, Histone-arginine methyltransferase CARM1 | 著者 | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | 登録日 | 2019-07-04 | 公開日 | 2020-03-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4). Biochem.J., 477, 2020
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6S71
| Crystal structure of CARM1 in complex with inhibitor WH5C | 分子名称: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1 | 著者 | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | 登録日 | 2019-07-04 | 公開日 | 2020-03-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.062 Å) | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4). Biochem.J., 477, 2020
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6S7B
| Crystal structure of CARM1 in complex with inhibitor UM249 | 分子名称: | 1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine, Histone-arginine methyltransferase CARM1 | 著者 | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | 登録日 | 2019-07-04 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.659 Å) | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4). Biochem.J., 477, 2020
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6S70
| Crystal structure of CARM1 in complex with inhibitor UM251 | 分子名称: | 1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine, GLYCEROL, Histone-arginine methyltransferase CARM1 | 著者 | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | 登録日 | 2019-07-04 | 公開日 | 2020-03-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4). Biochem.J., 477, 2020
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6S74
| Crystal structure of CARM1 in complex with inhibitor UM305 | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol, GLYCEROL, Histone-arginine methyltransferase CARM1 | 著者 | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | 登録日 | 2019-07-04 | 公開日 | 2020-03-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4). Biochem.J., 477, 2020
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1XS4
| dCTP deaminase from Escherichia coli- E138A mutant enzyme in complex with dCTP | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxycytidine triphosphate deaminase, MAGNESIUM ION | 著者 | Johansson, E, Fano, M, Bynck, J.H, Neuhard, J, Larsen, S, Sigurskjold, B.W, Christensen, U, Willemoes, M. | 登録日 | 2004-10-18 | 公開日 | 2004-12-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Structures of dCTP deaminase from Escherichia coli with bound substrate and product: reaction mechanism and determinants of mono- and bifunctionality for a family of enzymes J.Biol.Chem., 280, 2005
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1XS6
| dCTP deaminase from Escherichia coli. E138A mutant enzyme in complex with dUTP | 分子名称: | DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxycytidine triphosphate deaminase, MAGNESIUM ION | 著者 | Johansson, E, Fano, M, Bynck, J.H, Neuhard, J, Larsen, S, Sigurskjold, B.W, Christensen, U, Willemoes, M. | 登録日 | 2004-10-18 | 公開日 | 2004-12-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of dCTP deaminase from Escherichia coli with bound substrate and product: reaction mechanism and determinants of mono- and bifunctionality for a family of enzymes J.Biol.Chem., 280, 2005
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1XS1
| dCTP deaminase from Escherichia coli in complex with dUTP | 分子名称: | DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxycytidine triphosphate deaminase, MAGNESIUM ION | 著者 | Johansson, E, Fano, M, Bynck, J.H, Neuhard, J, Larsen, S, Sigurskjold, B.W, Christensen, U, Willemoes, M. | 登録日 | 2004-10-18 | 公開日 | 2004-12-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structures of dCTP deaminase from Escherichia coli with bound substrate and product: reaction mechanism and determinants of mono- and bifunctionality for a family of enzymes J.Biol.Chem., 280, 2005
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2IT8
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2MHZ
| Structure of Exocyclic S,S N6,N6-(2,3-Dihydroxy-1,4-butadiyl)-2'-Deoxyadenosine Adduct Induced by 1,2,3,4-Diepoxybutane in DNA | 分子名称: | 5'-D(*CP*GP*GP*AP*CP*(SDE)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3' | 著者 | Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P. | 登録日 | 2013-12-05 | 公開日 | 2014-05-28 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structures of Exocyclic R,R- and S,S-N(6),N(6)-(2,3-Dihydroxybutan-1,4-diyl)-2'-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane. Chem.Res.Toxicol., 27, 2014
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2MHX
| Structure of Exocyclic R,R N6,N6-(2,3-Dihydroxy-1,4-butadiyl)-2'-Deoxyadenosine Adduct Induced by 1,2,3,4-Diepoxybutane in DNA | 分子名称: | 5'-D(*CP*GP*GP*AP*CP*(RBD)P*AP*GP*AP*AP*G)-3'), 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3') | 著者 | Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P. | 登録日 | 2013-12-05 | 公開日 | 2014-05-28 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structures of Exocyclic R,R- and S,S-N(6),N(6)-(2,3-Dihydroxybutan-1,4-diyl)-2'-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane. Chem.Res.Toxicol., 27, 2014
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2YOA
| Synaptotagmin-1 C2B domain with phosphoserine | 分子名称: | CALCIUM ION, PHOSPHOSERINE, SYNAPTOTAGMIN-1, ... | 著者 | Honigmann, A, van den Bogaart, G, Iraheta, E, Risselada, H.J, Milovanovic, D, Mueller, V, Muellar, S, Diederichsen, U, Fasshauer, D, Grubmuller, H, Hell, S.W, Eggeling, C, Kuhnel, K, Jahn, R. | 登録日 | 2012-10-22 | 公開日 | 2013-03-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Phosphatidylinositol 4,5-Bisphosphate Clusters Act as Molecular Beacons for Vesicle Recruitment Nat.Struct.Mol.Biol., 20, 2013
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3C1P
| Crystal Structure of an alternating D-Alanyl, L-Homoalanyl PNA | 分子名称: | Peptide Nucleic Acid DLY-HGL-AGD-LHC-AGD-LHC-CUD-LYS | 著者 | Cuesta-Seijo, J.A, Sheldrick, G.M, Zhang, J, Diederichsen, U. | 登録日 | 2008-01-23 | 公開日 | 2009-01-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Continuous beta-turn fold of an alternating alanyl/homoalanyl peptide nucleic acid. Acta Crystallogr.,Sect.D, 68, 2012
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3EWW
| D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-cyano-UMP, covalent adduct | 分子名称: | 6-[(E)-iminomethyl]uridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase | 著者 | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | 登録日 | 2008-10-16 | 公開日 | 2009-04-07 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase Chemistry, 15, 2009
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3EWZ
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3EX6
| D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, covalent adduct | 分子名称: | CHLORIDE ION, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ... | 著者 | Heinrich, D, Diederichsen, U, Rudolph, M. | 登録日 | 2008-10-16 | 公開日 | 2009-04-07 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase Chemistry, 15, 2009
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3EX3
| human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, covalent adduct | 分子名称: | GLYCEROL, Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | 著者 | Heinrich, D, Diederichsen, U, Rudolph, M. | 登録日 | 2008-10-16 | 公開日 | 2009-04-07 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase Chemistry, 15, 2009
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3EX4
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3EWU
| D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP, covalent adduct | 分子名称: | 6-ethyluridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ... | 著者 | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | 登録日 | 2008-10-16 | 公開日 | 2009-04-07 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase Chemistry, 15, 2009
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