About: An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study.

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About: An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	An X-ray structure (resolution 2.2 A) of mutant HIV-1 protease (A71V, V82T, 184V) complexed with newly developed peptidomimetic inhibitor with ethyleneamine isostere Boc-Phe-.PSI.[CH2CH2NH]/Phe/Glu/Phe/NH2, denoted as OE, is described and compared with the complex of wild type HIV/1 protease with the same inhibitor (resolution 2.5 A). In the mutant protease weaker van der Waals interactions of the mutated residues Val 84 and Val 184 with OE were found. This lack of interaction energy is compensated by a new aromatic hydrogen bond between phenyl ring of the inhibitor in position P1 and the mutated residue Thr 182. An X-ray structure (resolution 2.2 A) of mutant HIV-1 protease (A71V, V82T, 184V) complexed with newly developed peptidomimetic inhibitor with ethyleneamine isostere Boc-Phe-.PSI.[CH2CH2NH]/Phe/Glu/Phe/NH2, denoted as OE, is described and compared with the complex of wild type HIV/1 protease with the same inhibitor (resolution 2.5 A). In the mutant protease weaker van der Waals interactions of the mutated residues Val 84 and Val 184 with OE were found. This lack of interaction energy is compensated by a new aromatic hydrogen bond between phenyl ring of the inhibitor in position P1 and the mutated residue Thr 182. (en)
Title	An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study. An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study. (en)
skos:prefLabel	An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study. An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study. (en)
skos:notation	RIV/61389013:_____/03:55033128!RIV/2004/AV0/A55004/N
http://linked.open.../vavai/riv/strany	1636;1644
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/00/D117), P(GA204/00/P091), P(GV203/98/K023), P(IAA4050811), P(KJB4050312), P(NI6339), Z(AV0Z4050913), Z(AV0Z4055905), Z(MSM 113100001)
http://linked.open...iv/cisloPeriodika	9
http://linked.open...vai/riv/dodaniDat	2004
http://linked.open...aciTvurceVysledku	Petroková, Hana Buchtelová, Eva Dohnálek, Jan Hašek, Jindřich Skálová, Tereza Dušková, Jarmila
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav makromolekulární chemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	597966
http://linked.open...ai/riv/idVysledku	RIV/61389013:_____/03:55033128
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	mutant HIV-1 protease; ethylenamine inhibitor; structure (en)
http://linked.open.../riv/klicoveSlovo	structure mutant HIV-1 protease ethylenamine inhibitor
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[D87176F0CF22]
http://linked.open...i/riv/nazevZdroje	Journal of Medicinal Chemistry
http://linked.open...in/vavai/riv/obor	CD
http://linked.open...ichTvurcuVysledku	6 (xsd:int)
http://linked.open...cetTvurcuVysledku	10 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Detection and characterisation of HIV-1 mutants resistant to specific therapy with protease inhibitors: evolution of the resistant species and their interactions with other viral proteins Study of structure and dynamical properties of macromolecules by methods of X-ray diffraction and computer simulation Structure analysis of complexes of HIV protease with selected ligands Using the experimental and theoretical methods for structure analysis of HIV protease complexes with selected inhibitors Study of Interactions in Complexes of HIV-1 protease with Inhibitors Protein crystallography analyses of liganded proteinase of human immunodeficiency virus ( HIV ) for design of novel anti - AIDS compounds
http://linked.open...UplatneniVysledku	2003
http://linked.open...v/svazekPeriodika	46
http://linked.open...iv/tvurceVysledku	Dohnálek, Jan Dušková, Jarmila Hašek, Jindřich Konvalinka, Jan Souček, Milan Skálová, Petra Jeřábková, Hana Buchtelová, Eva Majer, Pavel Uhlíková, Taťána
http://linked.open...n/vavai/riv/zamer	Cílená syntéza a studium chemických, fyzikálně-chemických a fyzikálních vlastností makromolekulárních a nadmolekulárních látek a soustav pro vyspělé technologie http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20113100001 Chemical principles of selected biological phenomena in medicine and ecology
issn	0022-2623
number of pages	9 (xsd:int)

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