Search Results - "Diehl, Carl"

Protein Flexibility and Conformational Entropy in Ligand Design Targeting the Carbohydrate Recognition Domain of Galectin-3 by Diehl, Carl, Engström, Olof, Delaine, Tamara, Håkansson, Maria, Genheden, Samuel, Modig, Kristofer, Leffler, Hakon, Ryde, Ulf, Nilsson, Ulf J, Akke, Mikael

“…Rational drug design is predicated on knowledge of the three-dimensional structure of the protein−ligand complex and the thermodynamics of ligand binding…”
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The Carbohydrate-Binding Site in Galectin-3 Is Preorganized To Recognize a Sugarlike Framework of Oxygens: Ultra-High-Resolution Structures and Water Dynamics by Saraboji, Kadhirvel, Håkansson, Maria, Genheden, Samuel, Diehl, Carl, Qvist, Johan, Weininger, Ulrich, Nilsson, Ulf J, Leffler, Hakon, Ryde, Ulf, Akke, Mikael, Logan, Derek T

“…The recognition of carbohydrates by proteins is a fundamental aspect of communication within and between living cells. Understanding the molecular basis of…”
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Publisher Correction: Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs by Petruk, Ganna, Puthia, Manoj, Samsudin, Firdaus, Petrlova, Jitka, Olm, Franziska, Mittendorfer, Margareta, Hyllén, Snejana, Edström, Dag, Strömdahl, Ann-Charlotte, Diehl, Carl, Ekström, Simon, Walse, Björn, Kjellström, Sven, Bond, Peter J., Lindstedt, Sandra, Schmidtchen, Artur

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Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs by Petruk, Ganna, Puthia, Manoj, Samsudin, Firdaus, Petrlova, Jitka, Olm, Franziska, Mittendorfer, Margareta, Hyllén, Snejana, Edström, Dag, Strömdahl, Ann-Charlotte, Diehl, Carl, Ekström, Simon, Walse, Björn, Kjellström, Sven, Bond, Peter J., Lindstedt, Sandra, Schmidtchen, Artur

“…There is a clinical need for conceptually new treatments that target the excessive activation of inflammatory pathways during systemic infection…”
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Beyond identity: Understanding the contribution of the 5' nucleotide of the antisense strand to RNAi activity by Yang, Peizhen, Havecker, Ericka, Bauer, Matthew, Diehl, Carl, Hendrix, Bill, Hoffer, Paul, Boyle, Timothy, Bradley, John, Caruano-Yzermans, Amy, Deikman, Jill

“…In both the pharmaceutical and agricultural fields, RNA-based products have capitalized upon the mechanism of RNA interference for targeted reduction of gene…”
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Isolation, Characterization and Structure Elucidation of a Novel Lantibiotic From Paenibacillus sp by Karczewski, Jerzy, Krasucki, Stephen P, Asare-Okai, Papa Nii, Diehl, Carl, Friedman, Andrew, Brown, Christine M, Maezato, Yukari, Streatfield, Stephen J

“…We have isolated and characterized a novel antibacterial peptide, CMB001, following an extensive screening effort of bacterial species isolated from diverse…”
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13C relaxation experiments for aromatic side chains employing longitudinal- and transverse-relaxation optimized NMR spectroscopy by Weininger, Ulrich, Diehl, Carl, Akke, Mikael

“…Aromatic side chains are prevalent in protein binding sites, perform functional roles in enzymatic catalysis, and form an integral part of the hydrophobic core…”
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Conformational entropy changes upon lactose binding to the carbohydrate recognition domain of galectin-3 by Diehl, Carl, Genheden, Samuel, Modig, Kristofer, Ryde, Ulf, Akke, Mikael

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Ligand-induced protein transition state stabilization switches the binding pathway from conformational selection to induced fit by Stenström, Olof, Diehl, Carl, Modig, Kristofer, Akke, Mikael

“…Protein-ligand complex formation is fundamental to biological function. A central question is whether proteins spontaneously adopt binding-competent…”
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Conformational Entropy of FK506 Binding to FKBP12 Determined by Nuclear Magnetic Resonance Relaxation and Molecular Dynamics Simulations by Solomentsev, Gleb, Diehl, Carl, Akke, Mikael

“…FKBP12 (FK506 binding protein 12 kDa) is an important drug target. Nuclear magnetic resonance (NMR) order parameters, describing amplitudes of motion on the…”
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Discovery of Selective and Orally Available Galectin‑1 Inhibitors by Zetterberg, Fredrik R., Diehl, Carl, Håkansson, Maria, Kahl-Knutson, Barbro, Leffler, Hakon, Nilsson, Ulf J., Peterson, Kristoffer, Roper, James A., Slack, Robert J.

“…A new series of orally available α-d-galactopyranosides with high affinity and specificity toward galectin-1 have been discovered. High affinity and…”
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Structural Analysis of a Complex between Small Ubiquitin-like Modifier 1 (SUMO1) and the ZZ Domain of CREB-binding Protein (CBP/p300) Reveals a New Interaction Surface on SUMO by Diehl, Carl, Akke, Mikael, Bekker-Jensen, Simon, Mailand, Niels, Streicher, Werner, Wikström, Mats

“…We have recently discovered that the ZZ zinc finger domain represents a novel small ubiquitin-like modifier (SUMO) binding motif. In this study we identify the…”
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Modulating protein unfolding and refolding via the synergistic association of an anionic and a nonionic surfactant by Hjalte, Johanna, Diehl, Carl, Leung, Anna E., Poon, Jia-Fei, Porcar, Lionel, Dalgliesh, Rob, Sjögren, Helen, Wahlgren, Marie, Sanchez-Fernandez, Adrian

“…[Display omitted] Nonionic surfactants can counter the deleterious effect that anionic surfactants have on proteins, where the folded states are retrieved from…”
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Conformational entropy changes upon lactose binding to the carbohydrate recognition domain of galectin-3 by Diehl, Carl, Genheden, Samuel, Modig, Kristofer, Ryde, Ulf, Akke, Mikael

“…The conformational entropy of proteins can make significant contributions to the free energy of ligand binding. NMR spin relaxation enables site-specific…”
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Discovery of the Selective and Orally Available Galectin‑1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer by Zetterberg, Fredrik R., Peterson, Kristoffer, Nilsson, Ulf J., Andréasson Dahlgren, Kajsa, Diehl, Carl, Holyer, Ian, Håkansson, Maria, Khabut, Areej, Kahl-Knutson, Barbro, Leffler, Hakon, MacKinnon, Alison C., Roper, James A., Slack, Robert J., Zarrizi, Reihaneh, Pedersen, Anders

“…We have previously described a new series of selective and orally available galectin-1 inhibitors resulting in the thiazole-containing glycomimetic GB1490…”
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Benzimidazole–galactosides bind selectively to the Galectin-8 N-Terminal domain: Structure-based design and optimisation by Hassan, Mujtaba, van Klaveren, Sjors, Håkansson, Maria, Diehl, Carl, Kovačič, Rebeka, Baussière, Floriane, Sundin, Anders P., Dernovšek, Jaka, Walse, Björn, Zetterberg, Fredrik, Leffler, Hakon, Anderluh, Marko, Tomašič, Tihomir, Jakopin, Žiga, Nilsson, Ulf J.

“…We have obtained the X-ray crystal structure of the galectin-8 N-terminal domain (galectin-8N) with a previously reported quinoline–galactoside ligand at a…”
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Starting-Condition Dependence of Order Parameters Derived from Molecular Dynamics Simulations by Genheden, Samuel, Diehl, Carl, Akke, Mikael, Ryde, Ulf

“…We have studied how backbone N−H S 2 order parameters calculated from molecular dynamics simulations depend on the method used to calculate them, the starting…”
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Mapping the energy landscape of protein-ligand binding via linear free energy relationships determined by protein NMR relaxation dispersion by Stenström, Olof, Diehl, Carl, Modig, Kristofer, Nilsson, Ulf J, Akke, Mikael

“…Biochemical signaling is mediated by complexes between macromolecular receptors and their ligands, with the duration of the signal being directly related to…”
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Structural basis for the antiarrhythmic blockade of a potassium channel with a small molecule by Takemoto, Yoshio, Slough, Diana P., Meinke, Gretchen, Katnik, Christopher, Graziano, Zachary A., Chidipi, Bojjibabu, Reiser, Michelle, Alhadidy, Mohammed M., Ramirez, Rafael, Salvador‐Montañés, Oscar, Ennis, Steven, Guerrero‐Serna, Guadalupe, Haburcak, Marian, Diehl, Carl, Cuevas, Javier, Jalife, Jose, Bohm, Andrew, Lin, Yu‐Shan, Noujaim, Sami F.

“…The acetylcholine‐activated inward rectifier potassium current (IKACh) is constitutively active in persistent atrial fibrillation (AF). We tested the…”
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Mapping the energy landscape of protein-ligand binding linear free energy relationships determined by protein NMR relaxation dispersion by Stenström, Olof, Diehl, Carl, Modig, Kristofer, Nilsson, Ulf J, Akke, Mikael

“…Biochemical signaling is mediated by complexes between macromolecular receptors and their ligands, with the duration of the signal being directly related to…”
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