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Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes

Nature communications, 2018-09, Vol.9 (1), p.3559-15, Article 3559

2018

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Dissecting the Hydrophobic Effect on the Molecular Level: The Role of Water, Enthalpy, and Entropy in Ligand Binding to Thermolysin

Angewandte Chemie (International ed.), 2013-02, Vol.52 (6), p.1822-1828

International ed. in English, 2013

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Structure of Active Coagulation Factor XIII Triggered by Calcium Binding: Basis for the Design of Next-Generation Anticoagulants

Angewandte Chemie (International ed.), 2013-11, Vol.52 (45), p.11930-11934

2013

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High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits

Structure (London), 2016-08, Vol.24 (8), p.1398-1409

2016

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More than a Simple Lipophilic Contact: A Detailed Thermodynamic Analysis of Nonbasic Residues in the S1 Pocket of Thrombin

Journal of molecular biology, 2009-07, Vol.390 (1), p.56-69

2009

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Unexpected Nanomolar Inhibition of Carbonic Anhydrase by COX-2-Selective Celecoxib: New Pharmacological Opportunities Due to Related Binding Site Recognition

Journal of medicinal chemistry, 2004-01, Vol.47 (3), p.550-557

2004

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Synthesis of 5-hydroxyectoine from ectoine: crystal structure of the non-heme iron(II) and 2-oxoglutarate-dependent dioxygenase EctD

PloS one, 2010-05, Vol.5 (5), p.e10647-e10647

2010

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Tracing Binding Modes in Hit-to-Lead Optimization: Chameleon-Like Poses of Aspartic Protease Inhibitors

Angewandte Chemie (International ed.), 2015-02, Vol.54 (9), p.2849-2853

International ed. in English, 2015

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Congeneric but Still Distinct: How Closely Related Trypsin Ligands Exhibit Different Thermodynamic and Structural Properties

Journal of molecular biology, 2011-02, Vol.405 (5), p.1170-1187

2011

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Observation of Covalent Intermediates in an Enzyme Mechanism at Atomic Resolution

Science (American Association for the Advancement of Science), 2001-10, Vol.294 (5541), p.369-374

2001

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Replacement of Water Molecules in a Phosphate Binding Site by Furanoside-Appended lin-Benzoguanine Ligands of tRNA-Guanine Transglycosylase (TGT)

Chemistry : a European journal, 2015-01, Vol.21 (1), p.126-135

2015

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Structure-Based mutagenesis approaches toward expanding the substrate specificity of d-2-Deoxyribose-5-phosphate aldolase

Bioorganic & medicinal chemistry, 2003-01, Vol.11 (1), p.43-52

2003

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Analysis of the Class I Aldolase Binding Site Architecture Based on the Crystal Structure of 2-Deoxyribose-5-phosphate Aldolase at 0.99 Å Resolution

Journal of molecular biology, 2004-10, Vol.343 (4), p.1019-1034

2004

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Deeply Inverted Electron-Hole Recombination in a Luminescent Antibody-Stilbene Complex

Science (American Association for the Advancement of Science), 2008-02, Vol.319 (5867), p.1232-1235

2008

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The Origin of Enantioselectivity in Aldolase Antibodies: Crystal Structure, Site-directed Mutagenesis, and Computational Analysis

Journal of molecular biology, 2004-11, Vol.343 (5), p.1269-1280

2004

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High-Resolution Structure of the Soluble, Respiratory-Type Rieske Protein from Thermus thermophilus: Analysis and Comparison

Biochemistry (Easton), 2003-06, Vol.42 (24), p.7303-7317

2003

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Thermodynamic Inhibition Profile of a Cyclopentyl and a Cyclohexyl Derivative towards Thrombin: The Same but for Different Reasons

Angewandte Chemie (International ed.), 2007-01, Vol.46 (44), p.8511-8514

2007

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A Humanized Aldolase Antibody for Selective Chemotherapy and Adaptor Immunotherapy

Journal of molecular biology, 2003-09, Vol.332 (4), p.889-899

2003

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An Antibody exo Diels-Alderase Inhibitor Complex at 1.95 Angstrom Resolution

Science (American Association for the Advancement of Science), 1998-03, Vol.279 (5358), p.1934-1940

1998

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Crystal structure of O-acetylserine sulfhydrylase (TM0665) from Thermotoga maritima at 1.8 Å resolution

Proteins, structure, function, and bioinformatics, 2004-08, Vol.56 (2), p.387-391

2004

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Using Antibody Catalysis to Study the Outcome of Multiple Evolutionary Trials of a Chemical Task

Proceedings of the National Academy of Sciences - PNAS, 2000-04, Vol.97 (8), p.3878-3883

2000

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Synthesis and Structure of the Disilagermirane R2Ge(SiR2)2 and the Solvent-Separated Ion Pair [Li([12]crown-4)2][GeR3]; (R = SiMe3)

Angewandte Chemie (International ed.), 1994-01, Vol.33 (1), p.113-115

1994

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A tricyclic ring system of six carbon and five boron atoms from monoalkylbenzene and five formal borene units

Organometallics, 1991-07, Vol.10 (7), p.2097-2098

1991

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2,5-Dihydroborole und 1,3-dihydro-1,3-diborete aus 1,3-dienen und aus alkinen durch umsetzung mit dichlor(diisopropylamino)boran und alkalimetallen

Journal of organometallic chemistry, 1990-04, Vol.386 (1), p.1-7

1990

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Augmentation of phosphate-induced osteo-/chondrogenic transformation of vascular smooth muscle cells by homoarginine

Cardiovascular research, 2016-06, Vol.110 (3), p.408-418

2016

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Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes

Dissecting the Hydrophobic Effect on the Molecular Level: The Role of Water, Enthalpy, and Entropy in Ligand Binding to Thermolysin

Structure of Active Coagulation Factor XIII Triggered by Calcium Binding: Basis for the Design of Next-Generation Anticoagulants

High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits

More than a Simple Lipophilic Contact: A Detailed Thermodynamic Analysis of Nonbasic Residues in the S1 Pocket of Thrombin

Unexpected Nanomolar Inhibition of Carbonic Anhydrase by COX-2-Selective Celecoxib: New Pharmacological Opportunities Due to Related Binding Site Recognition

Synthesis of 5-hydroxyectoine from ectoine: crystal structure of the non-heme iron(II) and 2-oxoglutarate-dependent dioxygenase EctD

Tracing Binding Modes in Hit-to-Lead Optimization: Chameleon-Like Poses of Aspartic Protease Inhibitors

Congeneric but Still Distinct: How Closely Related Trypsin Ligands Exhibit Different Thermodynamic and Structural Properties

Observation of Covalent Intermediates in an Enzyme Mechanism at Atomic Resolution

Replacement of Water Molecules in a Phosphate Binding Site by Furanoside-Appended lin-Benzoguanine Ligands of tRNA-Guanine Transglycosylase (TGT)

Structure-Based mutagenesis approaches toward expanding the substrate specificity of d-2-Deoxyribose-5-phosphate aldolase

Analysis of the Class I Aldolase Binding Site Architecture Based on the Crystal Structure of 2-Deoxyribose-5-phosphate Aldolase at 0.99 Å Resolution

Deeply Inverted Electron-Hole Recombination in a Luminescent Antibody-Stilbene Complex

The Origin of Enantioselectivity in Aldolase Antibodies: Crystal Structure, Site-directed Mutagenesis, and Computational Analysis

High-Resolution Structure of the Soluble, Respiratory-Type Rieske Protein from Thermus thermophilus: Analysis and Comparison

Thermodynamic Inhibition Profile of a Cyclopentyl and a Cyclohexyl Derivative towards Thrombin: The Same but for Different Reasons

A Humanized Aldolase Antibody for Selective Chemotherapy and Adaptor Immunotherapy

An Antibody exo Diels-Alderase Inhibitor Complex at 1.95 Angstrom Resolution

Crystal structure of O-acetylserine sulfhydrylase (TM0665) from Thermotoga maritima at 1.8 Å resolution

Using Antibody Catalysis to Study the Outcome of Multiple Evolutionary Trials of a Chemical Task

Synthesis and Structure of the Disilagermirane R2Ge(SiR2)2 and the Solvent-Separated Ion Pair [Li([12]crown-4)2][GeR3]; (R = SiMe3)

A tricyclic ring system of six carbon and five boron atoms from monoalkylbenzene and five formal borene units

2,5-Dihydroborole und 1,3-dihydro-1,3-diborete aus 1,3-dienen und aus alkinen durch umsetzung mit dichlor(diisopropylamino)boran und alkalimetallen

Augmentation of phosphate-induced osteo-/chondrogenic transformation of vascular smooth muscle cells by homoarginine

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