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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1IRA
 | | COMPLEX OF THE INTERLEUKIN-1 RECEPTOR WITH THE INTERLEUKIN-1 RECEPTOR ANTAGONIST (IL1RA) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, INTERLEUKIN-1 RECEPTOR, INTERLEUKIN-1 RECEPTOR ANTAGONIST | | 著者 | Schreuder, H.A, Tardif, C, Tramp-Kalmeyer, S, Soffientini, A, Sarubbi, E, Akeson, A, Bowlin, T, Yanofsky, S, Barrett, R.W. | | 登録日 | 1998-04-09 | | 公開日 | 1998-06-17 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A new cytokine-receptor binding mode revealed by the crystal structure of the IL-1 receptor with an antagonist.
Nature, 386, 1997
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1ATH
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2BMG
 | | Crystal structure of factor Xa in complex with 50 | | 分子名称: | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-4-YL)METHYL]BENZAMIDE, CALCIUM ION, COAGULATION FACTOR X | | 著者 | Schreuder, H, Matter, H, Will, D.W, Nazare, M, Laux, V, Wehner, V, Loenze, P, Liesum, A. | | 登録日 | 2005-03-14 | | 公開日 | 2006-03-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Requirements for Factor Xa Inhibition by 3-Oxybenzamides with Neutral P1 Substituents: Combining X-Ray Crystallography, 3D-Qsar and Tailored Scoring Functions
J.Med.Chem., 48, 2005
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1LPK
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125. | | 分子名称: | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER, Blood coagulation factor Xa, CALCIUM ION | | 著者 | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | | 登録日 | 2002-05-08 | | 公開日 | 2003-05-08 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 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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1LQD
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45. | | 分子名称: | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION | | 著者 | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | | 登録日 | 2002-05-10 | | 公開日 | 2003-05-10 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 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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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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1LPZ
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41. | | 分子名称: | 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide, Blood coagulation factor Xa, CALCIUM ION | | 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 (2.4 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.Biol.Chem., 45, 2002
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1LQE
 | | CRYSTAL STRUCTURE OF TRYPSIN IN COMPLEX WITH 79. | | 分子名称: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | | 著者 | Schreuder, H.A, Liesum, A. | | 登録日 | 2002-05-10 | | 公開日 | 2003-05-10 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 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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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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1PHH
 | | CRYSTAL STRUCTURE OF P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH ITS REACTION PRODUCT 3,4-DIHYDROXYBENZOATE | | 分子名称: | 3,4-DIHYDROXYBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | | 著者 | Schreuder, H.A, Drenth, J. | | 登録日 | 1987-11-04 | | 公開日 | 1988-04-16 | | 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 p-hydroxybenzoate hydroxylase complexed with its reaction product 3,4-dihydroxybenzoate.
J.Mol.Biol., 199, 1988
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2BHK
 | | Crystal structure of human growth and differentiation factor 5 (GDF5) | | 分子名称: | GROWTH DIFFERENTIATION FACTOR 5, ISOPROPYL ALCOHOL | | 著者 | Schreuder, H, Liesum, A, Pohl, J, Kruse, M, Koyama, M. | | 登録日 | 2005-01-12 | | 公開日 | 2005-03-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of Recombinant Human Growth Differentiation Factor 5. Evidence for Interaction of the Type I and Type II Receptor Binding Sites.
Biochem.Biophys.Res.Commun., 329, 2005
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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 | 2024-06-05 | | 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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1BZS
 | | CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909 | | 分子名称: | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Schreuder, H, Brachvogel, V, Loenze, P. | | 登録日 | 1998-11-04 | | 公開日 | 2000-05-31 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Quantitative structure-activity relationship of human neutrophil collagenase (MMP-8) inhibitors using comparative molecular field analysis and X-ray structure analysis.
J.Med.Chem., 42, 1999
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1B0F
 | | CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL ELASTASE WITH MDL 101, 146 | | 分子名称: | 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (ELASTASE) | | 著者 | Schreuder, H.A, Metz, W.A, Peet, N.P, Pelton, J.T, Tardif, C. | | 登録日 | 1998-11-09 | | 公開日 | 1998-11-09 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones.
J.Med.Chem., 41, 1998
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1B0E
 | | CRYSTAL STRUCTURE OF PORCINE PANCREATIC ELASTASE WITH MDL 101,146 | | 分子名称: | 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE, CALCIUM ION, PROTEIN (ELASTASE) | | 著者 | Schreuder, H.A, Metz, W.A, Peet, N.P, Pelton, J.T, Tardif, C. | | 登録日 | 1998-11-09 | | 公開日 | 1998-11-18 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones.
J.Med.Chem., 41, 1998
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1ILR
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6MV4
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR IXa | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Vadivel, K, Schreuder, H.A, Liesum, A, Bajaj, S.P. | | 登録日 | 2018-10-24 | | 公開日 | 2019-02-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Sodium-site in serine protease domain of human coagulation factor IXa: evidence from the crystal structure and molecular dynamics simulations study.
J. Thromb. Haemost., 17, 2019
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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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4A7I
 | | Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor | | 分子名称: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ... | | 著者 | Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V. | | 登録日 | 2011-11-14 | | 公開日 | 2012-02-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
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1GK0
 | | Structure-based prediction of modifications in glutarylamidase to allow single-step enzymatic production of 7-aminocephalosporanic acid from cephalosporin C | | 分子名称: | 1,2-ETHANEDIOL, CEPHALOSPORIN ACYLASE, PHOSPHATE ION | | 著者 | Fritz-Wolf, K, Koller, K.P, Lange, G, Liesum, A, Sauber, K, Schreuder, H, Aretz, W, Kabsch, W. | | 登録日 | 2001-08-07 | | 公開日 | 2002-01-01 | | 最終更新日 | 2019-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C.
Protein Sci., 11, 2002
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1GK1
 | | Structure-based prediction of modifications in glutarylamidase to allow single-step enzymatic production of 7-aminocephalosporanic acid from cephalosporin C | | 分子名称: | CEPHALOSPORIN ACYLASE, GLYCEROL | | 著者 | Fritz-Wolf, K, Koller, K.P, Lange, G, Liesum, A, Sauber, K, Schreuder, H, Aretz, W, Kabsch, W. | | 登録日 | 2001-08-07 | | 公開日 | 2002-01-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C.
Protein Sci., 11, 2002
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4UIB
 | | Crystal structure of 3p in complex with tafCPB | | 分子名称: | (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ... | | 著者 | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | | 登録日 | 2015-03-27 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
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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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4UIA
 | | Crystal structure of 3a in complex with tafCPB | | 分子名称: | (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, CARBOXYPEPTIDASE B, ZINC ION | | 著者 | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | | 登録日 | 2015-03-27 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
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