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PLBD :
PLBD : protein-ligand binding database of thermodynamic and kinetic intrinsic parameters
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- Linge, Darius (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Gedgaudas, Marius (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Merkys, Andrius (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Sect Crystallog & Cheminformat, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Petrauskas, Vytautas (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Vaitkus, Antanas (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Sect Crystallog & Cheminformat, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Grybauskas, Algirdas (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Sect Crystallog & Cheminformat, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Paketuryte, Vaida (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Zubriene, Asta (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Zaksauskas, Audrius (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Mickeviciute, Aurelija (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Smirnoviene, Joana (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Baranauskiene, Lina (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Capkauskaite, Edita (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Dudutiene, Virginija (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Urniezius, Ernestas (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Konovalovas, Aleksandras (författare)
- Vilnius Univ, Inst Biosci, Life Sci Ctr, Dept Biochem & Mol Biol, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Kazlauskas, Egidijus (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Shubin, Kirill (författare)
- Latvian Inst Organ Synth, Aizkraukles St 21, LV-1006 Riga, Latvia.
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- Schiöth, Helgi B. (författare)
- Uppsala universitet,Funktionell farmakologi och neurovetenskap
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- Chen, Wen-Yih (författare)
- Natl Cent Univ, Dept Chem & Mat Engn, 300 Zhongda Rd, Taoyuan 320, Taiwan.
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- Ladbury, John E. (författare)
- Univ Leeds, Sch Mol & Cellular Biol, Leeds LS2 9JT, England.
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- Grazulis, Saulius (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Sect Crystallog & Cheminformat, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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- Matulis, Daumantas (författare)
- Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania.
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Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Dept Biothermodynam & Drug Design, Sauletekio 7, LT-10257 Vilnius, Lithuania Vilnius Univ, Inst Biotechnol, Life Sci Ctr, Sect Crystallog & Cheminformat, Sauletekio 7, LT-10257 Vilnius, Lithuania. (creator_code:org_t)
- OXFORD UNIV PRESS, 2023
- 2023
- Engelska.
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Ingår i: Database. - : OXFORD UNIV PRESS. - 1758-0463. ; 2023
- Relaterad länk:
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https://uu.diva-port... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- We introduce a protein-ligand binding database (PLBD) that presents thermodynamic and kinetic data of reversible protein interactions with small molecule compounds. The manually curated binding data are linked to protein-ligand crystal structures, enabling structure-thermodynamics correlations to be determined. The database contains over 5500 binding datasets of 556 sulfonamide compound interactions with the 12 catalytically active human carbonic anhydrase isozymes defined by fluorescent thermal shift assay, isothermal titration calorimetry, inhibition of enzymatic activity and surface plasmon resonance. In the PLBD, the intrinsic thermodynamic parameters of interactions are provided, which account for the binding-linked protonation reactions. In addition to the protein-ligand binding affinities, the database provides calorimetrically measured binding enthalpies, providing additional mechanistic understanding. The PLBD can be applied to investigations of protein-ligand recognition and could be integrated into small molecule drug design.
Ämnesord
- NATURVETENSKAP -- Biologi -- Biokemi och molekylärbiologi (hsv//swe)
- NATURAL SCIENCES -- Biological Sciences -- Biochemistry and Molecular Biology (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
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Linge, Darius
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Gedgaudas, Mariu ...
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Merkys, Andrius
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Petrauskas, Vyta ...
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Vaitkus, Antanas
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Grybauskas, Algi ...
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Paketuryte, Vaid ...
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Zubriene, Asta
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Zaksauskas, Audr ...
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Mickeviciute, Au ...
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Smirnoviene, Joa ...
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Baranauskiene, L ...
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Capkauskaite, Ed ...
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Dudutiene, Virgi ...
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Urniezius, Ernes ...
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Konovalovas, Ale ...
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Kazlauskas, Egid ...
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Shubin, Kirill
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Schiöth, Helgi B ...
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Chen, Wen-Yih
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Ladbury, John E.
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Grazulis, Sauliu ...
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Matulis, Daumant ...
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Uppsala universitet