4JB9
| Crystal structure of antibody VRC06 in complex with HIV-1 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, antibody VRC06 heavy chain, antibody VRC06 light chain, ... | Authors: | Kwon, Y.D, Zhou, T, Srivatsan, S, Kwong, P.D. | Deposit date: | 2013-02-19 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization. Science, 340, 2013
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4JAN
| crystal structure of broadly neutralizing antibody CH103 in complex with HIV-1 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ... | Authors: | Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D. | Deposit date: | 2013-02-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus. Nature, 496, 2013
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7YKJ
| Omicron RBDs bound with P3E6 Fab (one up and one down) | Descriptor: | P3E6 heavy chain, P3E6 light chain, Spike glycoprotein | Authors: | Tang, B, Dang, S. | Deposit date: | 2022-07-22 | Release date: | 2022-12-28 | Last modified: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2. Emerg Microbes Infect, 12, 2023
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4JAM
| Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103 | Descriptor: | 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ... | Authors: | Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D. | Deposit date: | 2013-02-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus. Nature, 496, 2013
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7XA9
| Structure of Arabidopsis thaliana CLCa | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chloride channel protein CLC-a, MAGNESIUM ION, ... | Authors: | Ji, S, Jin, H, Kaiming, Z, Mingxing, W, Shanshan, L, Long, C. | Deposit date: | 2022-03-17 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Cryo-EM structure of the plant nitrate transporter AtCLCa reveals characteristics of the anion-binding site and the ATP-binding pocket. J.Biol.Chem., 299, 2023
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3SNK
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7JWY
| Structure of SARS-CoV-2 spike at pH 4.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhou, T, Tsybovsky, Y, Kwong, P.D. | Deposit date: | 2020-08-26 | Release date: | 2020-11-25 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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3T6K
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7K6O
| Crystal structure of PI3Kalpha inhibitor 10-5429 | Descriptor: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.738 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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7K71
| Crystal structure of PI3Kalpha inhibitor 4-0686 | Descriptor: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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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
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7K6N
| Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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3TGT
| Crystal structure of unliganded HIV-1 clade A/E strain 93TH057 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 clade A/E 93TH057 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 (1.9 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
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3TGQ
| Crystal structure of unliganded HIV-1 clade B strain YU2 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 YU2 gp120 | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2011-08-17 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.4 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
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7LPN
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3TIH
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7K6M
| Crystal structure of PI3Kalpha selective Inhibitor PF-06843195 | Descriptor: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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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
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7WOF
| SARS-CoV-2 3CLpro | Descriptor: | (2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase | Authors: | Wang, Y, Ye, S. | Deposit date: | 2022-01-21 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions. Int J Mol Sci, 23, 2022
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7WOH
| SARS-CoV-2 3CLpro | Descriptor: | (2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide, 3C-like proteinase | Authors: | Wang, Y, Ye, S. | Deposit date: | 2022-01-21 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions. Int J Mol Sci, 23, 2022
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7WO1
| Discovery of SARS-CoV-2 3CLpro peptidomimetic inhibitors through H41-specific protein-ligand interactions | Descriptor: | 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide | Authors: | Wang, Y, Ye, S. | Deposit date: | 2022-01-20 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions. Int J Mol Sci, 23, 2022
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7WO3
| SARS-CoV-2 3CLpro | Descriptor: | (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide, 3C-like proteinase | Authors: | Wang, Y, Ye, S. | Deposit date: | 2022-01-20 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions. Int J Mol Sci, 23, 2022
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7WO2
| SARS-CoV-2 3CLPro Peptidomimetic Inhibitor TPM5 | Descriptor: | 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide | Authors: | Wang, Y, Ye, S. | Deposit date: | 2022-01-20 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions. Int J Mol Sci, 23, 2022
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4IDJ
| S.Aureus a-hemolysin monomer in complex with Fab | Descriptor: | Alpha-hemolysin, Fab Heavy chain, Fab Light chain, ... | Authors: | Strop, P. | Deposit date: | 2012-12-12 | Release date: | 2013-06-26 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Mechanism of Action and In Vivo Efficacy of a Human-Derived Antibody against Staphylococcus aureus alpha-Hemolysin. J.Mol.Biol., 425, 2013
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7LQ1
| HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 28 | Descriptor: | CHLORIDE ION, N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Lesburg, C.A, Augustin, M. | Deposit date: | 2021-02-12 | Release date: | 2022-02-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Discovery of a new series of PI3K-delta inhibitors from Virtual Screening. Bioorg.Med.Chem.Lett., 42, 2021
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