3dnd › Citations

Crystallography-independent determination of ligand binding modes.

Orts J, Tuma J, Reese M, Grimm SK, Monecke P, Bartoschek S, Schiffer A, Wendt KU, Griesinger C, Carlomagno T
Angew Chem Int Ed Engl 47 7736-40 (2008)
Cited: 23 times
EuropePMC logo PMID: 18767090

Reviews - 3dnd mentioned but not cited (2)

  1. Solution NMR Spectroscopy for the Study of Enzyme Allostery. Lisi GP, Loria JP. Chem. Rev. 116 6323-6369 (2016)
  2. Allostery and binding cooperativity of the catalytic subunit of protein kinase A by NMR spectroscopy and molecular dynamics simulations. Masterson LR, Cembran A, Shi L, Veglia G. Adv Protein Chem Struct Biol 87 363-389 (2012)

Articles - 3dnd mentioned but not cited (6)

  1. Determinants for activation of the atypical AGC kinase Greatwall during M phase entry. Blake-Hodek KA, Williams BC, Zhao Y, Castilho PV, Chen W, Mao Y, Yamamoto TM, Goldberg ML. Mol. Cell. Biol. 32 1337-1353 (2012)
  2. Interpreting linear support vector machine models with heat map molecule coloring. Rosenbaum L, Hinselmann G, Jahn A, Zell A. J Cheminform 3 11 (2011)
  3. An NMR-based scoring function improves the accuracy of binding pose predictions by docking by two orders of magnitude. Orts J, Bartoschek S, Griesinger C, Monecke P, Carlomagno T. J. Biomol. NMR 52 23-30 (2012)
  4. Time-of-Flight Three Dimensional Neutron Diffraction in Transmission Mode for Mapping Crystal Grain Structures. Cereser A, Strobl M, Hall SA, Steuwer A, Kiyanagi R, Tremsin AS, Knudsen EB, Shinohara T, Willendrup PK, da Silva Fanta AB, Iyengar S, Larsen PM, Hanashima T, Moyoshi T, Kadletz PM, Krooß P, Niendorf T, Sales M, Schmahl WW, Schmidt S. Sci Rep 7 9561 (2017)
  5. Evolutionary Ancestry of Eukaryotic Protein Kinases and Choline Kinases. Lai S, Safaei J, Pelech S. J. Biol. Chem. 291 5199-5205 (2016)
  6. The description of protein internal motions aids selection of ligand binding poses by the INPHARMA method. Stauch B, Orts J, Carlomagno T. J. Biomol. NMR 54 245-256 (2012)


Reviews citing this publication (4)

  1. NMR-based analysis of protein-ligand interactions. Cala O, Guillière F, Krimm I. Anal Bioanal Chem 406 943-956 (2014)
  2. The nuclear Overhauser effect from a quantitative perspective. Vögeli B. Prog Nucl Magn Reson Spectrosc 78 1-46 (2014)
  3. NMR in drug discovery: A practical guide to identification and validation of ligands interacting with biological macromolecules. Gossert AD, Jahnke W. Prog Nucl Magn Reson Spectrosc 97 82-125 (2016)
  4. NMR in natural products: understanding conformation, configuration and receptor interactions. Carlomagno T. Nat Prod Rep 29 536-554 (2012)

Articles citing this publication (11)

  1. The INPHARMA technique for pharmacophore mapping: A theoretical guide to the method. Orts J, Griesinger C, Carlomagno T. J. Magn. Reson. 200 64-73 (2009)
  2. Drug design for G-protein-coupled receptors by a ligand-based NMR method. Bartoschek S, Klabunde T, Defossa E, Dietrich V, Stengelin S, Griesinger C, Carlomagno T, Focken I, Wendt KU. Angew. Chem. Int. Ed. Engl. 49 1426-1429 (2010)
  3. Elucidation of the structure and intermolecular interactions of a reversible cyclic-peptide inhibitor of the proteasome by NMR spectroscopy and molecular modeling. Stauch B, Simon B, Basile T, Schneider G, Malek NP, Kalesse M, Carlomagno T. Angew. Chem. Int. Ed. Engl. 49 3934-3938 (2010)
  4. Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Behnen J, Köster H, Neudert G, Craan T, Heine A, Klebe G. ChemMedChem 7 248-261 (2012)
  5. Hyperpolarized binding pocket nuclear Overhauser effect for determination of competitive ligand binding. Lee Y, Zeng H, Mazur A, Wegstroth M, Carlomagno T, Reese M, Lee D, Becker S, Griesinger C, Hilty C. Angew. Chem. Int. Ed. Engl. 51 5179-5182 (2012)
  6. A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Pilger J, Mazur A, Monecke P, Schreuder H, Elshorst B, Bartoschek S, Langer T, Schiffer A, Krimm I, Wegstroth M, Lee D, Hessler G, Wendt KU, Becker S, Griesinger C. Angew. Chem. Int. Ed. Engl. 54 6511-6515 (2015)
  7. Data quality in drug discovery: the role of analytical performance in ligand binding assays. Wätzig H, Oltmann-Norden I, Steinicke F, Alhazmi HA, Nachbar M, El-Hady DA, Albishri HM, Baumann K, Exner T, Böckler FM, El Deeb S. J. Comput. Aided Mol. Des. 29 847-865 (2015)
  8. 12th International Conference on the Chemistry of Antibiotics and other Bioactive Compounds (ICCA-12). Kirst HA. J. Antibiot. 65 173-174 (2012)
  9. Determination of protein-ligand binding modes using fast multi-dimensional NMR with hyperpolarization. Wang Y, Kim J, Hilty C. Chem Sci 11 5935-5943 (2020)
  10. Methyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes. Mohanty B, Orts J, Wang G, Nebl S, Alwan WS, Doak BC, Williams ML, Heras B, Mobli M, Scanlon MJ. Sci Rep 12 11231 (2022)
  11. Structural Basis of Artemisinin Binding Sites in Serum Albumin with the Combined Use of NMR and Docking Calculations. Primikyri A, Papamokos G, Venianakis T, Sakka M, Kontogianni VG, Gerothanassis IP. Molecules 27 5912 (2022)


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