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5LRG
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CRYSTAL STRUCTURE OF THE PORCINE CARBOXYPEPTIDASE B - ANABAENOPEPTIN B COMPLEX
Descriptor:Carboxypeptidase B, Anabaenopeptin B, ZINC ION
Authors:Schreuder, H., Liesum, A., Loenze, P.
Deposit date:2016-08-19
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
5LRJ
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CRYSTAL STRUCTURE OF THE PORCINE CARBOXYPEPTIDASE B - ANABAENOPEPTIN C COMPLEX
Descriptor:Carboxypeptidase B, Anabaenopeptin C, ZINC ION
Authors:Schreuder, H., Liesum, A., Loenze, P.
Deposit date:2016-08-19
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
5LRK
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CRYSTAL STRUCTURE OF THE PORCINE CARBOXYPEPTIDASE B - ANABAENOPEPTIN F COMPLEX
Descriptor:Carboxypeptidase B, Anabaenopeptin F, ZINC ION
Authors:Schreuder, H., Liesum, A., Loenze, P.
Deposit date:2016-08-19
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
2BHK
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CRYSTAL STRUCTURE OF HUMAN GROWTH AND DIFFERENTIATION FACTOR 5 (GDF5)
Descriptor:GROWTH DIFFERENTIATION FACTOR 5, ISOPROPYL ALCOHOL
Authors:Schreuder, H., Liesum, A., Pohl, J., Kruse, M., Koyama, M.
Deposit date:2005-01-12
Release date:2005-03-11
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
3RUB
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CRYSTAL STRUCTURE OF THE UNACTIVATED FORM OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM TOBACCO REFINED AT 2.0-ANGSTROMS RESOLUTION
Descriptor:RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE, FORM III, SULFATE ION, ...
Authors:Schreuder, H., Cascio, D., Curmi, P.M.G., Chapman, M.S., Suh, S.W., Eisenberg, D.S.
Deposit date:1990-05-25
Release date:1992-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the unactivated form of ribulose-1,5-bisphosphate carboxylase/oxygenase from tobacco refined at 2.0-A resolution.
J.Biol.Chem., 267, 1992
2BMG
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CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH 50
Descriptor:COAGULATION FACTOR X, CALCIUM ION, 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-4-YL)METHYL]BENZAMIDE
Authors:Schreuder, H., Matter, H., Will, D.W., Nazare, M., Laux, V., Wehner, V., Loenze, P., Liesum, A.
Deposit date:2005-03-14
Release date:2006-03-08
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
1BZS
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CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909
Descriptor:NEUTROPHIL COLLAGENASE, CALCIUM ION, ZINC ION, ...
Authors:Schreuder, H., Brachvogel, V., Loenze, P.
Deposit date:1998-11-04
Release date:2000-05-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
2BOH
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CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND "1"
Descriptor:COAGULATION FACTOR XA, CALCIUM ION, 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE
Authors:Nazare, M., Will, D.W., Matter, H., Schreuder, H., Ritter, K., Urmann, M., Essrich, M., Bauer, A., Wagner, M., Czech, J., Laux, V., Wehner, V.
Deposit date:2005-04-11
Release date:2006-04-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
2BQ6
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CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH 21
Descriptor:COAGULATION FACTOR X, FACTOR XA, CALCIUM ION, ...
Authors:Nazare, M., Will, D.W., Matter, H., Schreuder, H., Ritter, K., Urmann, M., Essrich, M., Bauer, A., Wagner, M., Czech, J., Laux, V., Wehner, V.
Deposit date:2005-04-27
Release date:2006-04-26
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
2BQ7
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CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH 43
Descriptor:COAGULATION FACTOR X, FACTOR XA, N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE, ...
Authors:Nazare, M., Will, D.W., Matter, H., Schreuder, H., Ritter, K., Urmann, M., Essrich, M., Bauer, A., Wagner, M., Czech, J., Laux, V., Wehner, V.
Deposit date:2005-04-27
Release date:2006-04-26
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
2BQW
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CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45
Descriptor:COAGULATION FACTOR X, FACTOR XA, CALCIUM ION, ...
Authors:Nazare, M., Will, D.W., Matter, H., Schreuder, H., Ritter, K., Urmann, M., Essrich, M., Bauer, A., Wagner, M., Czech, J., Laux, V., Wehner, V.
Deposit date:2005-04-28
Release date:2006-04-26
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
4A7I
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FACTOR XA IN COMPLEX WITH A POTENT 2-AMINO-ETHANE SULFONAMIDE INHIBITOR
Descriptor:FACTOR X LIGHT CHAIN, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ...
Authors:Nazare, M., Matter, H., Will, D.W., Wagner, M., Urmann, M., Czech, J., Schreuder, H., Bauer, A., Ritter, K., Wehner, V.
Deposit date:2011-11-14
Release date:2012-02-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
4AZ0
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CRYSTAL STRUCTURE OF CATHEPSIN A, COMPLEXED WITH 8A.
Descriptor:LYSOSOMAL PROTECTIVE PROTEIN 32 KDA CHAIN, LYSOSOMAL PROTECTIVE PROTEIN 20 KDA CHAIN, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Ruf, S., Buning, C., Schreuder, H., Horstick, G., Linz, W., Olpp, T., Pernerstorfer, J., Hiss, K., Kroll, K., Kannt, A., Kohlmann, M., Linz, D., Huebschle, T., Ruetten, H., Wirth, K., Schmidt, T., Sadowski, T.
Deposit date:2012-06-22
Release date:2012-09-26
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A.
J.Med.Chem., 55, 2012
4AZ3
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CRYSTAL STRUCTURE OF CATHEPSIN A, COMPLEXED WITH 15A
Descriptor:LYSOSOMAL PROTECTIVE PROTEIN 32 KDA CHAIN, LYSOSOMAL PROTECTIVE PROTEIN 20 KDA CHAIN, (3S)-3-({[1-(2-fluorophenyl)-5-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-1H-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid, ...
Authors:Ruf, S., Buning, C., Schreuder, H., Horstick, G., Linz, W., Olpp, T., Pernerstorfer, J., Hiss, K., Kroll, K., Kannt, A., Kohlmann, M., Linz, D., Huebschle, T., Ruetten, H., Wirth, K., Schmidt, T., Sadowski, T.
Deposit date:2012-06-22
Release date:2012-09-26
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A.
J.Med.Chem., 55, 2012
1GK0
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STRUCTURE-BASED PREDICTION OF MODIFICATIONS IN GLUTARYLAMIDASE TO ALLOW SINGLE-STEP ENZYMATIC PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID FROM CEPHALOSPORIN C
Descriptor:CEPHALOSPORIN ACYLASE, PHOSPHATE ION, 1,2-ETHANEDIOL
Authors:Fritz-Wolf, K., Koller, K.P., Lange, G., Liesum, A., Sauber, K., Schreuder, H., Aretz, W., Kabsch, W.
Deposit date:2001-08-07
Release date:2002-01-01
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C.
Protein Sci., 11, 2002
1GK1
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STRUCTURE-BASED PREDICTION OF MODIFICATIONS IN GLUTARYLAMIDASE TO ALLOW SINGLE-STEP ENZYMATIC PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID FROM CEPHALOSPORIN C
Descriptor:CEPHALOSPORIN ACYLASE, GLYCEROL
Authors:Fritz-Wolf, K., Koller, K.P., Lange, G., Liesum, A., Sauber, K., Schreuder, H., Aretz, W., Kabsch, W.
Deposit date:2001-08-07
Release date:2002-01-01
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C.
Protein Sci., 11, 2002
4BTI
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FACTOR XA IN COMPLEX WITH THE DUAL THROMBIN-FXA INHIBITOR 58.
Descriptor:COAGULATION FACTOR X HEAVY CHAIN, COAGULATION FACTOR X LIGHT CHAIN, CALCIUM ION, ...
Authors:Meneyrol, J., Follmann, M., Lassalle, G., Wehner, V., Barre, G., Rousseaux, T., Altenburger, J.M., Petit, F., Bocskei, Z., Stehlin-Gaon, C., Schreuder, H., Alet, N., Herault, J.-P., Millet, L., Dol, F., Hasbrand, C., Schaeffer, P., Sadoun, F., Klieber, S., Briot, C., Bono, F., Herbert, J.-M.
Deposit date:2013-06-18
Release date:2013-12-25
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
4BTT
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FACTOR XA IN COMPLEX WITH THE DUAL THROMBIN-FXA INHIBITOR 31.
Descriptor:COAGULATION FACTOR X LIGHT CHAIN, COAGULATION FACTOR X, CALCIUM ION, ...
Authors:Meneyrol, J., Follmann, M., Lassalle, G., Wehner, V., Barre, G., Rousseaux, T., Altenburger, J.M., Petit, F., Bocskei, Z., Stehlin-Gaon, C., Schreuder, H., Alet, N., Herault, J.-P., Millet, L., Dol, F., Hasbrand, C., Schaeffer, P., Sadoun, F., Klieber, S., Briot, C., Bono, F., Herbert, J.-M.
Deposit date:2013-06-19
Release date:2013-12-18
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
4BTU
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FACTOR XA IN COMPLEX WITH THE DUAL THROMBIN-FXA INHIBITOR 57.
Descriptor:COAGULATION FACTOR X LIGHT CHAIN, COAGULATION FACTOR X HEAVY CHAIN, CALCIUM ION, ...
Authors:Meneyrol, J., Follmann, M., Lassalle, G., Wehner, V., Barre, G., Rousseaux, T., Altenburger, J.M., Petit, F., Bocskei, Z., Stehlin-Gaon, C., Schreuder, H., Alet, N., Herault, J.-P., Millet, L., Dol, F., Hasbrand, C., Schaeffer, P., Sadoun, F., Klieber, S., Briot, C., Bono, F., Herbert, J.-M.
Deposit date:2013-06-19
Release date:2013-12-18
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
4C4X
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CRYSTAL STRUCTURE OF HUMAN BIFUNCTIONAL EPOXIDE HYDROXYLASE 2 COMPLEXED WITH C9
Descriptor:BIFUNCTIONAL EPOXIDE HYDROLASE 2, 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea
Authors:Pilger, J., Mazur, A., Monecke, P., Schreuder, H., Elshorst, B., Langer, T., Schiffer, A., Krimm, I., Wegstroth, M., Lee, D., Hessler, G., Wendt, K.-U., Becker, S., Griesinger, C.
Deposit date:2013-09-09
Release date:2014-10-01
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4Y
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CRYSTAL STRUCTURE OF HUMAN BIFUNCTIONAL EPOXIDE HYDROXYLASE 2 COMPLEXED WITH A4
Descriptor:BIFUNCTIONAL EPOXIDE HYDROLASE 2, 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea
Authors:Pilger, J., Mazur, A., Monecke, P., Schreuder, H., Elshorst, B., Langer, T., Schiffer, A., Krimm, I., Wegstroth, M., Lee, D., Hessler, G., Wendt, K.-U., Becker, S., Griesinger, C.
Deposit date:2013-09-09
Release date:2014-10-01
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4Z
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CRYSTAL STRUCTURE OF HUMAN BIFUNCTIONAL EPOXIDE HYDROXYLASE 2 COMPLEXED WITH A8
Descriptor:BIFUNCTIONAL EPOXIDE HYDROLASE 2, 1-ethyl-3-naphthalen-1-ylurea
Authors:Pilger, J., Mazur, A., Monecke, P., Schreuder, H., Elshorst, B., Langer, T., Schiffer, A., Krimm, I., Wegstroth, M., Lee, D., Hessler, G., Wendt, K.-U., Becker, S., Griesinger, C.
Deposit date:2013-09-09
Release date:2014-10-01
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
1IRA
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COMPLEX OF THE INTERLEUKIN-1 RECEPTOR WITH THE INTERLEUKIN-1 RECEPTOR ANTAGONIST (IL1RA)
Descriptor:INTERLEUKIN-1 RECEPTOR ANTAGONIST, INTERLEUKIN-1 RECEPTOR, N-ACETYL-D-GLUCOSAMINE
Authors:Schreuder, H.A., Tardif, C., Tramp-Kalmeyer, S., Soffientini, A., Sarubbi, E., Akeson, A., Bowlin, T., Yanofsky, S., Barrett, R.W.
Deposit date:1998-04-09
Release date:1998-06-17
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A new cytokine-receptor binding mode revealed by the crystal structure of the IL-1 receptor with an antagonist.
Nature, 386, 1997
1AD8
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COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY
Descriptor:THROMBIN (SMALL SUBUNIT), THROMBIN (LARGE SUBUNIT), HIRUDIN (53-65) PEPTIDE, ...
Authors:Schreuder, H., Tardif, C., Malikayil, J.A.
Deposit date:1997-02-24
Release date:1997-11-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety.
Biochemistry, 36, 1997
5LYD
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CRYSTAL STRUCTURE OF 1 IN COMPLEX WITH TAFCPB
Descriptor:Carboxypeptidase B, ZINC ION, (2~{S})-6-azanyl-2-(sulfamoylamino)hexanoic acid
Authors:Schreuder, H., Liesum, A., Loenze, P.
Deposit date:2016-09-27
Release date:2016-10-26
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite: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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