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Crystal structures of HIV-1 gp120 envelope glycoprotein in complex with NBD analogues that target the CD4-binding site.

Kwon YD, LaLonde JM, Yang Y, Elban MA, Sugawara A, Courter JR, Jones DM, Smith AB 3rd, Debnath AK, Kwong PD.

PLoS One. 2014 Jan 28;9(1):e85940. doi: 10.1371/journal.pone.0085940. eCollection 2014.


Enhanced dynamics of HIV gp120 glycoprotein by small molecule binding.

Shrivastava I, LaLonde JM.

Biochemistry. 2011 May 17;50(19):4173-83. doi: 10.1021/bi2002218. Epub 2011 Apr 21.


Binding mode characterization of NBD series CD4-mimetic HIV-1 entry inhibitors by X-ray structure and resistance study.

Curreli F, Kwon YD, Zhang H, Yang Y, Scacalossi D, Kwong PD, Debnath AK.

Antimicrob Agents Chemother. 2014 Sep;58(9):5478-91. doi: 10.1128/AAC.03339-14. Epub 2014 Jul 7.


Thermodynamics of binding of a low-molecular-weight CD4 mimetic to HIV-1 gp120.

Schön A, Madani N, Klein JC, Hubicki A, Ng D, Yang X, Smith AB 3rd, Sodroski J, Freire E.

Biochemistry. 2006 Sep 12;45(36):10973-80.


Structure-based design, synthesis and validation of CD4-mimetic small molecule inhibitors of HIV-1 entry: conversion of a viral entry agonist to an antagonist.

Courter JR, Madani N, Sodroski J, Schön A, Freire E, Kwong PD, Hendrickson WA, Chaiken IM, LaLonde JM, Smith AB 3rd.

Acc Chem Res. 2014 Apr 15;47(4):1228-37. doi: 10.1021/ar4002735. Epub 2014 Feb 6. Review.


Design, synthesis, and antiviral activity of entry inhibitors that target the CD4-binding site of HIV-1.

Curreli F, Choudhury S, Pyatkin I, Zagorodnikov VP, Bulay AK, Altieri A, Kwon YD, Kwong PD, Debnath AK.

J Med Chem. 2012 May 24;55(10):4764-75. doi: 10.1021/jm3002247. Epub 2012 May 10.


Discovery of small molecular inhibitors targeting HIV-1 gp120-CD4 interaction drived from BMS-378806.

Liu T, Huang B, Zhan P, De Clercq E, Liu X.

Eur J Med Chem. 2014 Oct 30;86:481-90. doi: 10.1016/j.ejmech.2014.09.012. Epub 2014 Sep 6. Review.


Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity.

Curreli F, Kwon YD, Zhang H, Scacalossi D, Belov DS, Tikhonov AA, Andreev IA, Altieri A, Kurkin AV, Kwong PD, Debnath AK.

J Med Chem. 2015 Sep 10;58(17):6909-27. doi: 10.1021/acs.jmedchem.5b00709. Epub 2015 Aug 28.


Probing of CD4 binding pocket of HIV-1 gp120 glycoprotein using unnatural phenylalanine analogues.

Yu X, Talukder P, Bhattacharya C, Fahmi NE, Lines JA, Dedkova LM, LaBaer J, Hecht SM, Chen S.

Bioorg Med Chem Lett. 2014 Dec 15;24(24):5699-703. doi: 10.1016/j.bmcl.2014.10.058. Epub 2014 Oct 22.


Small-molecule CD4 mimics interact with a highly conserved pocket on HIV-1 gp120.

Madani N, Schön A, Princiotto AM, Lalonde JM, Courter JR, Soeta T, Ng D, Wang L, Brower ET, Xiang SH, Kwon YD, Huang CC, Wyatt R, Kwong PD, Freire E, Smith AB 3rd, Sodroski J.

Structure. 2008 Nov 12;16(11):1689-701. doi: 10.1016/j.str.2008.09.005.


Structure of an HIV gp120 envelope glycoprotein in complex with the CD4 receptor and a neutralizing human antibody.

Kwong PD, Wyatt R, Robinson J, Sweet RW, Sodroski J, Hendrickson WA.

Nature. 1998 Jun 18;393(6686):648-59.


Expression and characterization of a single-chain polypeptide analogue of the human immunodeficiency virus type 1 gp120-CD4 receptor complex.

Fouts TR, Tuskan R, Godfrey K, Reitz M, Hone D, Lewis GK, DeVico AL.

J Virol. 2000 Dec;74(24):11427-36.


Identification of N-phenyl-N'-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamides as a new class of HIV-1 entry inhibitors that prevent gp120 binding to CD4.

Zhao Q, Ma L, Jiang S, Lu H, Liu S, He Y, Strick N, Neamati N, Debnath AK.

Virology. 2005 Sep 1;339(2):213-25.


Binding of full-length HIV-1 gp120 to CD4 induces structural reorientation around the gp120 core.

Ashish, Garg R, Anguita J, Krueger JK.

Biophys J. 2006 Sep 15;91(6):L69-71. Epub 2006 Jul 14.


Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.

Kwon YD, Finzi A, Wu X, Dogo-Isonagie C, Lee LK, Moore LR, Schmidt SD, Stuckey J, Yang Y, Zhou T, Zhu J, Vicic DA, Debnath AK, Shapiro L, Bewley CA, Mascola JR, Sodroski JG, Kwong PD.

Proc Natl Acad Sci U S A. 2012 Apr 10;109(15):5663-8. doi: 10.1073/pnas.1112391109. Epub 2012 Mar 26.


Stabilization of HIV-1 gp120-CD4 receptor complex through targeted interchain disulfide exchange.

Cerutti N, Mendelow BV, Napier GB, Papathanasopoulos MA, Killick M, Khati M, Stevens W, Capovilla A.

J Biol Chem. 2010 Aug 13;285(33):25743-52. doi: 10.1074/jbc.M110.144121. Epub 2010 Jun 10.


Peptides from second extracellular loop of C-C chemokine receptor type 5 (CCR5) inhibit diverse strains of HIV-1.

Dogo-Isonagie C, Lam S, Gustchina E, Acharya P, Yang Y, Shahzad-ul-Hussan S, Clore GM, Kwong PD, Bewley CA.

J Biol Chem. 2012 Apr 27;287(18):15076-86. doi: 10.1074/jbc.M111.332361. Epub 2012 Mar 8.


Dynamic domains and geometrical properties of HIV-1 gp120 during conformational changes induced by CD4 binding.

Liu SQ, Liu SX, Fu YX.

J Mol Model. 2007 Mar;13(3):411-24. Epub 2006 Nov 28.


Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120.

Chen L, Kwon YD, Zhou T, Wu X, O'Dell S, Cavacini L, Hessell AJ, Pancera M, Tang M, Xu L, Yang ZY, Zhang MY, Arthos J, Burton DR, Dimitrov DS, Nabel GJ, Posner MR, Sodroski J, Wyatt R, Mascola JR, Kwong PD.

Science. 2009 Nov 20;326(5956):1123-7. doi: 10.1126/science.1175868.


Structure of a V3-containing HIV-1 gp120 core.

Huang CC, Tang M, Zhang MY, Majeed S, Montabana E, Stanfield RL, Dimitrov DS, Korber B, Sodroski J, Wilson IA, Wyatt R, Kwong PD.

Science. 2005 Nov 11;310(5750):1025-8.

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