6OCU
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![BU of 6ocu by Molmil](/molmil-images/mine/6ocu) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | Descriptor: | 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Lesburg, C.A, Augustin, M.A. | Deposit date: | 2019-03-25 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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7K6N
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![BU of 7k6n by Molmil](/molmil-images/mine/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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6OCO
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![BU of 6oco by Molmil](/molmil-images/mine/6oco) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6 | Descriptor: | 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Lesburg, C.A, Augustin, M.A. | Deposit date: | 2019-03-25 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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8FIS
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![BU of 8fis by Molmil](/molmil-images/mine/8fis) | Structure of Bispecific CAP256V2LS-J3 Fab in complex with BG505 DS-SOSIP.664 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2022-12-16 | Release date: | 2023-02-01 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Bispecific antibody CAP256.J3LS targets V2-apex and CD4-binding sites with high breadth and potency. Mabs, 15, 2023
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4XL8
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![BU of 4xl8 by Molmil](/molmil-images/mine/4xl8) | Crystal Structure of Human Adenovirus 52 Short Fiber Knob in Complex with 2-O-Methyl-5-N-Acetylneuraminic Acid | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, ... | Authors: | Stehle, T, Liaci, A.M. | Deposit date: | 2015-01-13 | Release date: | 2015-01-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Human Adenovirus 52 Uses Sialic Acid-containing Glycoproteins and the Coxsackie and Adenovirus Receptor for Binding to Target Cells. Plos Pathog., 11, 2015
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6VG1
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![BU of 6vg1 by Molmil](/molmil-images/mine/6vg1) | xenopus protocadherin 8.1 EC1-6 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Harrison, O.J, Brasch, B, Shapiro, L.S. | Deposit date: | 2020-01-07 | Release date: | 2020-03-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins. Cell Rep, 30, 2020
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5K9J
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![BU of 5k9j by Molmil](/molmil-images/mine/5k9j) | Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 isolated following H5 immunization. | Descriptor: | 56.a.09 heavy chain, 56.a.09 light chain, POLYETHYLENE GLYCOL (N=34) | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-31 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
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5K9K
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![BU of 5k9k by Molmil](/molmil-images/mine/5k9k) | Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 in complex with Hemagglutinin Hong Kong 1968. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 56.a.09 Heavy chain, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-31 | Release date: | 2016-12-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
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5K8Q
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![BU of 5k8q by Molmil](/molmil-images/mine/5k8q) | Crystal Structure of Calcium-loaded Calmodulin in complex with STRA6 CaMBP2-site peptide. | Descriptor: | CALCIUM ION, Calmodulin, IMIDAZOLE, ... | Authors: | Stowe, S.D, Clarke, O.B, Cavalier, M.C, Godoy-Ruiz, R, Mancia, F, Weber, D.J. | Deposit date: | 2016-05-30 | Release date: | 2016-08-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.739 Å) | Cite: | Structure of the STRA6 receptor for retinol uptake. Science, 353, 2016
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5KAN
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![BU of 5kan by Molmil](/molmil-images/mine/5kan) | Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.g.07 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin | Descriptor: | 16.g.07 Heavy chain, 16.g.07 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.785 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell(Cambridge,Mass.), 166, 2016
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5KAQ
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![BU of 5kaq by Molmil](/molmil-images/mine/5kaq) | Crystal structure of broadly neutralizing Influenza A antibody 31.a.83 in complex with Hemagglutinin Hong Kong 1968. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 31.A.83 FAB HEAVY CHAIN, ANTIBODY 31.A.83 FAB LIGHT CHAIN, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2017-02-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.514 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
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5KH5
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![BU of 5kh5 by Molmil](/molmil-images/mine/5kh5) | |
7JWY
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![BU of 7jwy by Molmil](/molmil-images/mine/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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5K9O
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![BU of 5k9o by Molmil](/molmil-images/mine/5k9o) | Crystal structure of multidonor HV1-18+HD3-9 class broadly neutralizing Influenza A antibody 31.b.09 in complex with Hemagglutinin H1 A/California/04/2009 | Descriptor: | 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2016-12-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.387 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
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5K9Q
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![BU of 5k9q by Molmil](/molmil-images/mine/5k9q) | Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin | Descriptor: | 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2016-11-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell(Cambridge,Mass.), 166, 2016
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5KH4
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![BU of 5kh4 by Molmil](/molmil-images/mine/5kh4) | |
5KH2
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![BU of 5kh2 by Molmil](/molmil-images/mine/5kh2) | |
5DT1
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![BU of 5dt1 by Molmil](/molmil-images/mine/5dt1) | |
5ESV
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![BU of 5esv by Molmil](/molmil-images/mine/5esv) | Crystal Structure of Broadly Neutralizing Antibody CH03, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade C Superinfecting Strain of Donor CAP256. | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gorman, J, Yang, M, Kwong, P.D. | Deposit date: | 2015-11-17 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.105 Å) | Cite: | Structures of HIV-1 Env V1V2 with broadly neutralizing antibodies reveal commonalities that enable vaccine design. Nat.Struct.Mol.Biol., 23, 2016
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8G4T
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![BU of 8g4t by Molmil](/molmil-images/mine/8g4t) | Vaccine-elicited human antibody 2C09 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein BG505 DS-SOSIP gp120, ... | Authors: | Wang, S, Kwong, P.D. | Deposit date: | 2023-02-10 | Release date: | 2023-07-12 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | HIV-1 neutralizing antibodies elicited in humans by a prefusion-stabilized envelope trimer form a reproducible class targeting fusion peptide. Cell Rep, 42, 2023
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6BF4
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![BU of 6bf4 by Molmil](/molmil-images/mine/6bf4) | |
5ESZ
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![BU of 5esz by Molmil](/molmil-images/mine/5esz) | Crystal Structure of Broadly Neutralizing Antibody CH04, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade AE Strain A244 | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH04 Heavy Chain, ... | Authors: | Gorman, J, Yang, M, Kwong, P.D. | Deposit date: | 2015-11-17 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.191 Å) | Cite: | Structures of HIV-1 Env V1V2 with broadly neutralizing antibodies reveal commonalities that enable vaccine design. Nat. Struct. Mol. Biol., 23, 2016
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5SY1
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![BU of 5sy1 by Molmil](/molmil-images/mine/5sy1) | Structure of the STRA6 receptor for retinol uptake in complex with calmodulin | Descriptor: | CALCIUM ION, CHOLESTEROL, Calmodulin, ... | Authors: | Clarke, O.B, Chen, Y, Mancia, F. | Deposit date: | 2016-08-10 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of the STRA6 receptor for retinol uptake. Science, 353, 2016
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5GSW
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![BU of 5gsw by Molmil](/molmil-images/mine/5gsw) | Crystal structure of EV71 3C in complex with N69S 1.8k | Descriptor: | 3C protein, ~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide | Authors: | Wang, Y. | Deposit date: | 2016-08-17 | Release date: | 2017-05-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structure of the Enterovirus 71 3C Protease in Complex with NK-1.8k and Indications for the Development of Antienterovirus Protease Inhibitor Antimicrob. Agents Chemother., 61, 2017
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5GSO
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![BU of 5gso by Molmil](/molmil-images/mine/5gso) | Crystal Structures of EV71 3C Protease in complex with NK-1.8k | Descriptor: | 3C protein, ~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide | Authors: | Wang, Y. | Deposit date: | 2016-08-16 | Release date: | 2017-05-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the Enterovirus 71 3C Protease in Complex with NK-1.8k and Indications for the Development of Antienterovirus Protease Inhibitor Antimicrob. Agents Chemother., 61, 2017
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