5LYI
| Crystal structure of 1 in complex with tafCPB | 分子名称: | (2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid, Carboxypeptidase B, ZINC ION | 著者 | Schreuder, H, Liesum, A, Loenze, P. | 登録日 | 2016-09-28 | 公開日 | 2016-10-26 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). J. Med. Chem., 59, 2016
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5LYF
| Crystal structure of 1 in complex with tafCPB | 分子名称: | (2~{S})-6-azanyl-2-[[(2~{R})-1-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, Carboxypeptidase B, ZINC ION | 著者 | Schreuder, H, Liesum, A, Loenze, P. | 登録日 | 2016-09-28 | 公開日 | 2016-10-26 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). J. Med. Chem., 59, 2016
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1AD8
| COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY | 分子名称: | HIRUDIN (53-65) PEPTIDE, SODIUM ION, THROMBIN (LARGE SUBUNIT), ... | 著者 | Schreuder, H, Tardif, C, Malikayil, J.A. | 登録日 | 1997-02-24 | 公開日 | 1997-11-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety. Biochemistry, 36, 1997
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4RUB
| A CRYSTAL FORM OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM NICOTIANA TABACUM IN THE ACTIVATED STATE | 分子名称: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ... | 著者 | Schreuder, H, Cascio, D, Curmi, P.M.G, Eisenberg, D. | 登録日 | 1990-05-25 | 公開日 | 1992-10-15 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A crystal form of ribulose-1,5-bisphosphate carboxylase/oxygenase from Nicotiana tabacum in the activated state. J.Mol.Biol., 197, 1987
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6R7S
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6EZQ
| human Serum Albumin complexed with NBD-C12 fatty acid | 分子名称: | 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid, Serum albumin | 著者 | Wenskowsky, L, Liesum, A, Schreuder, H.A. | 登録日 | 2017-11-16 | 公開日 | 2017-12-13 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Identification and Characterization of a Single High-Affinity Fatty Acid Binding Site in Human Serum Albumin. Angew. Chem. Int. Ed. Engl., 57, 2018
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6GB1
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6YAU
| CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A. | 分子名称: | 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION | 著者 | Schreuder, H.A, Liesum, A. | 登録日 | 2020-03-13 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.397 Å) | 主引用文献 | Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis. Adv Sci, 7, 2020
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6YG9
| CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07. | 分子名称: | 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin | 著者 | Schreuder, H.A, Liesum, A. | 登録日 | 2020-03-27 | 公開日 | 2021-01-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis. Adv Sci, 7, 2020
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3DGV
| Crystal structure of thrombin activatable fibrinolysis inhibitor (TAFI) | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Anand, K, Pallares, I, Valnickova, Z, Christensen, T, Schreuder, H, Enghild, J. | 登録日 | 2008-06-16 | 公開日 | 2008-07-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The crystal structure of thrombin-activable fibrinolysis inhibitor (TAFI) provides the structural basis for its intrinsic activity and the short half-life of TAFIa. J.Biol.Chem., 283, 2008
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7BKG
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (2) | 分子名称: | 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Schreuder, H.A, Liesum, A. | 登録日 | 2021-01-15 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.326 Å) | 主引用文献 | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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7BLE
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3) | 分子名称: | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Schreuder, H.A, Liesum, A. | 登録日 | 2021-01-18 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.809 Å) | 主引用文献 | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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7NBQ
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (4) | 分子名称: | 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Schreuder, H.A, Liesum, A. | 登録日 | 2021-01-27 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.479 Å) | 主引用文献 | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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7NBJ
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7NBM
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the bisubstrate-like inhibitor (33) | 分子名称: | (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one, Nicotinamide N-methyltransferase | 著者 | Schreuder, H.A, Liesum, A. | 登録日 | 2021-01-27 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.691 Å) | 主引用文献 | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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1LPG
| CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79. | 分子名称: | Blood coagulation factor Xa, CALCIUM ION, [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | 著者 | Schreuder, H.A, Brachvogel, V, Liesum, A. | 登録日 | 2002-05-08 | 公開日 | 2003-05-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa. J.Med.Chem., 45, 2002
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4CI9
| Crystal structure of cathepsin A, apo-structure | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Schreuder, H.A, Liesum, A, Kroll, K, Boehnisch, B, Buning, C, Ruf, S, Buning, C, Sadowski, T. | 登録日 | 2013-12-06 | 公開日 | 2014-02-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases. Biochem. Biophys. Res. Commun., 445, 2014
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4CIB
| crystal structure of cathepsin a, complexed with compound 2 | 分子名称: | 2-(cyclohexylmethyl)propanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | 著者 | Schreuder, H.A, Liesum, A, Kroll, K, Boehnisch, B, Buning, C, Ruf, S, Buning, C, Sadowski, T. | 登録日 | 2013-12-06 | 公開日 | 2014-02-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases. Biochem. Biophys. Res. Commun., 445, 2014
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4CIA
| Crystal structure of cathepsin A, complexed with compound 1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, LYSOSOMAL PROTECTIVE PROTEIN, ... | 著者 | Schreuder, H.A, Liesum, A, Kroll, K, Boehnisch, B, Buning, C, Ruf, S, Buning, C, Sadowski, T. | 登録日 | 2013-12-06 | 公開日 | 2014-02-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases. Biochem. Biophys. Res. Commun., 445, 2014
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1SKZ
| PROTEASE INHIBITOR | 分子名称: | ANTISTASIN, CHLORIDE ION | 著者 | Krengel, U, Dijkstra, B.W. | 登録日 | 1997-04-16 | 公開日 | 1997-10-22 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | X-ray structure of antistasin at 1.9 A resolution and its modelled complex with blood coagulation factor Xa. EMBO J., 16, 1997
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6GDZ
| exendin-4 based dual GLP-1/glucagon receptor agonist | 分子名称: | (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, Exendin-4 | 著者 | Evers, A, Kurz, M. | 登録日 | 2018-04-25 | 公開日 | 2018-06-20 | 最終更新日 | 2019-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations. J. Med. Chem., 61, 2018
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6GE2
| exendin-4 based dual GLP-1/glucagon receptor agonist | 分子名称: | (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, Exendin-4 | 著者 | Evers, A, Kurz, M. | 登録日 | 2018-04-25 | 公開日 | 2018-06-20 | 最終更新日 | 2019-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations. J. Med. Chem., 61, 2018
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4YXS
| CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24 | 分子名称: | N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Schiffer, A, Wendt, K.U. | 登録日 | 2015-03-23 | 公開日 | 2015-05-20 | 最終更新日 | 2015-06-03 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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4YXR
| CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor. | 分子名称: | 3-methyl-2H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Schiffer, A, Wendt, K.U. | 登録日 | 2015-03-23 | 公開日 | 2015-05-27 | 最終更新日 | 2015-06-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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8F0J
| Calcitonin Receptor in complex with Gs and Pramlintide analogue peptide San45 | 分子名称: | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Cao, J, Sexton, P.M, Wootten, D.L, Belousoff, M.J. | 登録日 | 2022-11-03 | 公開日 | 2023-08-02 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | Structural insight into selectivity of amylin and calcitonin receptor agonists. Nat.Chem.Biol., 20, 2024
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