8FM5
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fm5 by Molmil](/molmil-images/mine/8fm5) | HIV-1 gp120 complex with DY-III-065 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,3,3-trifluoropropyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, Envelope glycoprotein gp120 | Authors: | Gong, Z, Hendrickson, W.A. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8FLZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8flz by Molmil](/molmil-images/mine/8flz) | HIV-1 gp120 complex with CJF-III-049-S | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | Authors: | Gong, Z, Hendrickson, W.A. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8FLY
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fly by Molmil](/molmil-images/mine/8fly) | HIV-1 gp120 complex with BNM-III-170 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | Authors: | Gong, Z, Hendrickson, W.A. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8FM0
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fm0 by Molmil](/molmil-images/mine/8fm0) | HIV-1 gp120 complex with CJF-III-214 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate | Authors: | Gong, Z, Hendrickson, W.A. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8FM3
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fm3 by Molmil](/molmil-images/mine/8fm3) | HIV-1 gp120 complex with CJF-III-288 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, propyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate | Authors: | Gong, Z, Hendrickson, W.A. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8FM4
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fm4 by Molmil](/molmil-images/mine/8fm4) | HIV-1 gp120 complex with CJF-IV-047 | Descriptor: | 2,2,2-trifluoroethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120 | Authors: | Gong, Z, Hendrickson, W.A. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8FM7
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fm7 by Molmil](/molmil-images/mine/8fm7) | HIV-1 gp120 complex with CJF-III-192 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, benzyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate | Authors: | Gong, Z, Hendrickson, W.A. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8FM2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fm2 by Molmil](/molmil-images/mine/8fm2) | HIV-1 gp120 complex with CJF-III-289 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, IMIDAZOLE, ... | Authors: | Gong, Z, Hendrickson, W.A. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8FM8
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8fm8 by Molmil](/molmil-images/mine/8fm8) | HIV-1 gp120 complex with CJF-IV-046 | Descriptor: | (pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gong, Z, Hendrickson, W.A. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
4I53
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4i53 by Molmil](/molmil-images/mine/4i53) | |
7RI1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7ri1 by Molmil](/molmil-images/mine/7ri1) | |
5F4P
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5f4p by Molmil](/molmil-images/mine/5f4p) | HIV-1 gp120 complex with BNM-III-170 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2015-12-03 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. Acs Med.Chem.Lett., 7, 2016
|
|
5F4L
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5f4l by Molmil](/molmil-images/mine/5f4l) | HIV-1 gp120 complex with JP-III-048 | Descriptor: | ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2015-12-03 | Release date: | 2016-03-30 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. Acs Med.Chem.Lett., 7, 2016
|
|
3TGS
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3tgs by Molmil](/molmil-images/mine/3tgs) | Crystal structure of HIV-1 clade C strain C1086 gp120 core in complex with NBD-556 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 core, N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2011-08-17 | Release date: | 2012-04-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
7RI2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7ri2 by Molmil](/molmil-images/mine/7ri2) | |
5F4R
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5f4r by Molmil](/molmil-images/mine/5f4r) | HIV-1 gp120 complex with BNW-IV-147 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, FORMIC ACID, ... | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2015-12-03 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. ACS Med Chem Lett, 7, 2016
|
|
3TGR
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3tgr by Molmil](/molmil-images/mine/3tgr) | Crystal structure of unliganded HIV-1 clade C strain C1086 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2011-08-17 | Release date: | 2012-04-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4LSV
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4lsv by Molmil](/molmil-images/mine/4lsv) | Crystal structure of broadly and potently neutralizing antibody 3BNC117 in complex with HIV-1 clade C C1086 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN OF ANTIBODY 3BNC117, IMIDAZOLE, ... | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | Deposit date: | 2013-07-23 | Release date: | 2013-08-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies. Immunity, 39, 2013
|
|
5F4U
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5f4u by Molmil](/molmil-images/mine/5f4u) | HIV-1 gp120 complex with BNM-IV-197 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2015-12-03 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. ACS Med Chem Lett, 7, 2016
|
|