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Structure paper

TitleCrystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site.
Journal, issue, pagesPlos One, Vol. 9, Page e85940-e85940, Year 2014
Publish dateFeb 23, 2012 (structure data deposition date)
AuthorsKwon, Y.D. / Lalonde, J.M. / Yang, Y. / Elban, M.A. / Sugawara, A. / Courter, J.R. / Jones, D.M. / Smith, A.B. / Debnath, A.K. / Kwong, P.D.
External linksPlos One / PubMed:24489681
MethodsX-ray diffraction
Resolution1.94 - 2.5 Å
Structure data

PDB-4dvr:
Crystal structure of YU2 gp120 core in complex with Fab 48d and NBD-557
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-4dvs:
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-557
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-4dvt:
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AS-II-37
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4dvv:
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AS-I-261
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-4dvw:
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with MAE-II-167
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4dvx:
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with MAE-II-188
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

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

ChemComp-0LY:
N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide

ChemComp-HOH:
WATER

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

ChemComp-0LZ:
N-(4-chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide

ChemComp-0M1:
N-{[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide

ChemComp-0M4:
N-(4-chloro-3-fluorophenyl)-N'-[(3aS,6aS)-hexahydrocyclopenta[c]pyrrol-3a(1H)-ylmethyl]ethanediamide

ChemComp-0M5:
N-(4-chloro-3-fluorophenyl)-N'-{[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide

Source
  • human immunodeficiency virus type 1 group m subtype b (isolate yu-2)
  • homo sapiens (human)
  • human immunodeficiency virus 1
KeywordsIMMUNE SYSTEM/TRANSCRIPTION INHIBITOR / HIV-1 gp120 / CD4 binding site / NBD-557 / IMMUNE SYSTEM-TRANSCRIPTION INHIBITOR complex / viral protein/transcription inhibitor / small molecule inhibitor / viral protein-transcription inhibitor complex / AS-II-37 / AS-I-261 / MAE-II-167 / MAE-II-188

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