| human | Q5 |
| P646 | Freebase ID | /m/051hkkk |
| P227 | GND ID | 110409655 |
| P269 | IdRef ID | 179241966 |
| P213 | ISNI | 0000000060597057 |
| P244 | Library of Congress authority ID | n00014730 |
| P8189 | National Library of Israel J9U ID | 987007320786405171 |
| P1006 | Nationale Thesaurus voor Auteursnamen ID | 212838008 |
| P1015 | NORAF ID | 90229059 |
| P1207 | NUKAT ID | n2013075479 |
| P214 | VIAF ID | 10444205 |
| P10832 | WorldCat Entities ID | E39PBJyxjfqKBQCDTFtvRkKDbd |
| P108 | employer | University of Marburg | Q155354 |
| P734 | family name | Klebe | Q37116732 |
| Klebe | Q37116732 | ||
| Klebe | Q37116732 | ||
| P735 | given name | Gerhard | Q7996169 |
| Gerhard | Q7996169 | ||
| P106 | occupation | chemist | Q593644 |
| P21 | sex or gender | male | Q6581097 |
| Q27654361 | A Structure-Based Approach to Ligand Discovery for 2 C -Methyl- d -erythritol-2,4-cyclodiphosphate Synthase: A Target for Antimicrobial Therapy † |
| Q27674738 | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes |
| Q27651889 | Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors |
| Q25257808 | AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB |
| Q27641818 | An essential role for aspartate 264 in catalysis by tRNA-guanine transglycosylase from Escherichia coli |
| Q27656669 | An integrative approach combining noncovalent mass spectrometry, enzyme kinetics and X-ray crystallography to decipher Tgt protein-protein and protein-RNA interaction |
| Q28219491 | Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors |
| Q27690797 | Beyond affinity: enthalpy-entropy factorization unravels complexity of a flat structure-activity relationship for inhibition of a tRNA-modifying enzyme |
| Q27682019 | Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling |
| Q27663412 | Bidentate Zinc Chelators for α-Carbonic Anhydrases that Produce a Trigonal Bipyramidal Coordination Geometry |
| Q27703608 | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures |
| Q27690788 | Chasing protons: how isothermal titration calorimetry, mutagenesis, and pKa calculations trace the locus of charge in ligand binding to a tRNA-binding enzyme |
| Q28090814 | Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures |
| Q27666082 | Congeneric but Still Distinct: How Closely Related Trypsin Ligands Exhibit Different Thermodynamic and Structural Properties |
| Q27641028 | Crystal Structure of 2-Methylisocitrate Lyase (PrpB) from Escherichia coli and Modelling of its Ligand Bound Active Centre |
| Q27653676 | Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT |
| Q30159581 | Crystal structure of Bacillus subtilis S-adenosylmethionine:tRNA ribosyltransferase-isomerase |
| Q27644905 | Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding |
| Q27638639 | De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity |
| Q27683691 | Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin |
| Q30342119 | Efficient similarity search in protein structure databases by k-clique hashing. |
| Q27644378 | Evidence for a novel binding site conformer of aldose reductase in ligand-bound state |
| Q27676521 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery |
| Q30391265 | Fingerprint Kernels for Protein Structure Comparison |
| Q27642266 | Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design |
| Q27701800 | Fragment Binding Can Be Either More Enthalpy-Driven or Entropy-Driven: Crystal Structures and Residual Hydration Patterns Suggest Why |
| Q27660547 | Fragment-based lead discovery: screening and optimizing fragments for thermolysin inhibition |
| Q27681407 | From lin-benzoguanines to lin-benzohypoxanthines as ligands for Zymomonas mobilis tRNA-guanine transglycosylase: replacement of protein-ligand hydrogen bonding by importing water clusters |
| Q27648851 | Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies |
| Q27721684 | High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits |
| Q27690810 | Hot-spot analysis to dissect the functional protein-protein interface of a tRNA-modifying enzyme |
| Q27658079 | How to replace the residual solvation shell of polar active site residues to achieve nanomolar inhibition of tRNA-guanine transglycosylase |
| Q27689445 | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design |
| Q27698027 | Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold |
| Q27678289 | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor |
| Q27648871 | KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding |
| Q27703241 | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies |
| Q27679214 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect |
| Q27670470 | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase |
| Q27650655 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features |
| Q27689469 | Methyl, ethyl, propyl, butyl: futile but not for water, as the correlation of structure and thermodynamic signature shows in a congeneric series of thermolysin inhibitors |
| Q27715308 | New Insights into Human 17β-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor |
| Q27659858 | Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry |
| Q27726746 | Occupying a flat subpocket in a tRNA-modifying enzyme with ordered or disordered side chains: Favorable or unfavorable for binding? |
| Q27709204 | Optimization of Cyclic Plasmin Inhibitors: From Benzamidines to Benzylamines |
| Q27648653 | Potent inhibitors of tRNA-guanine transglycosylase, an enzyme linked to the pathogenicity of the Shigella bacterium: charge-assisted hydrogen bonding |
| Q30370580 | Prediction of turn types in protein structure by machine-learning classifiers. |
| Q27671924 | Radiation damage reveals promising interaction position |
| Q27640311 | Reconstructing the binding site of factor Xa in trypsin reveals ligand-induced structural plasticity |
| Q27696473 | Replacement of water molecules in a phosphate binding site by furanoside-appended lin-benzoguanine ligands of tRNA-guanine transglycosylase (TGT) |
| Q27647390 | Saccharin inhibits carbonic anhydrases: possible explanation for its unpleasant metallic aftertaste |
| Q27667470 | Stereo- and regioselective azide/alkyne cycloadditions in carbonic anhydrase II via tethering, monitored by crystallography and mass spectrometry |
| Q27702584 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10 |
| Q27651499 | Structural and kinetic analysis of pyrrolidine-based inhibitors of the drug-resistant Ile84Val mutant of HIV-1 protease |
| Q27644103 | Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution |
| Q27661358 | Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth |
| Q27687108 | Structure of active coagulation factor XIII triggered by calcium binding: basis for the design of next-generation anticoagulants |
| Q27689107 | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry |
| Q27654218 | Structure-based optimization of aldose reductase inhibitors originating from virtual screening |
| Q27650097 | Structure-guided design of C2-symmetric HIV-1 protease inhibitors based on a pyrrolidine scaffold |
| Q27639470 | Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation |
| Q27651746 | Targeting the open-flap conformation of HIV-1 protease with pyrrolidine-based inhibitors |
| Q28248999 | The crystal structure of Plasmodium falciparum glutamate dehydrogenase, a putative target for novel antimalarial drugs |
| Q27648649 | Thermodynamic inhibition profile of a cyclopentyl and a cyclohexyl derivative towards thrombin: the same but for different reasons |
| Q27702163 | Thermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental data |
| Q27655887 | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin |
| Q27697678 | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors |
| Q27666416 | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors |
| Q27670811 | Two solutions for the same problem: multiple binding modes of pyrrolidine-based HIV-1 protease inhibitors |
| Q27643434 | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions |
| Q27643006 | Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition |
| Q27640724 | Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis |
| Q27681384 | Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding |
| Q27638635 | pH-dependent binding modes observed in trypsin crystals: lessons for structure-based drug design |
| Gerhard Klebe | wikipedia |
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