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Structure paper

TitleAntiviral Activity and Crystal Structures of HIV-1 gp120 Antagonists.
Journal, issue, pagesInt J Mol Sci, Vol. 23, Year 2022
Publish dateNov 25, 2022 (structure data deposition date)
AuthorsCurreli, F. / Kwon, Y.D. / Nicolau, I. / Burgos, G. / Altieri, A. / Kurkin, A.V. / Verardi, R. / Kwong, P.D. / Debnath, A.K.
External linksInt J Mol Sci / PubMed:36555641
MethodsX-ray diffraction
Resolution1.94 - 2.09 Å
Structure data

PDB-8f9z:
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14204, an HIV-1 gp120 antagonist
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-8fa0:
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14208, an HIV-1 gp120 antagonist
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-XKW:
(5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-XKR:
N-{(1S)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3,5-difluorophenyl)-1H-pyrrole-2-carboxamide

Source
  • homo sapiens (human)
KeywordsVIRAL PROTEIN/INHIBITOR / HIV-1 / NBD-14204 / small molecules / CD4-gp120 binding inhibitor / antagonist / VIRAL PROTEIN-INHIBITOR complex / VIRAL PROTEIN / NBD-14208

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