6IWB
| Crystal structure of a computationally designed protein (LD3) in complex with BCL-2 | Descriptor: | Apolipoprotein E, Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, SULFATE ION | Authors: | Kim, S, Kwak, M.J, Oh, B.-H, Correia, B.E, Gainza, P. | Deposit date: | 2018-12-05 | Release date: | 2019-12-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A computationally designed chimeric antigen receptor provides a small-molecule safety switch for T-cell therapy. Nat.Biotechnol., 38, 2020
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8FG6
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7V6X
| Crystal structure of HPPD complexed with Y18556 | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-3-[(2-methylphenyl)methyl]-6-[(1~{R},2~{S})-2-oxidanyl-6-oxidanylidene-cyclohexyl]carbonyl-1,2,3-benzotriazin-4-one, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pharmacophore-Oriented Discovery of Novel 1,2,3-Benzotriazine-4-one Derivatives as Potent 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors. J.Agric.Food Chem., 70, 2022
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6IO0
| Human IDH1 R132C mutant complexed with compound A. | Descriptor: | (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ... | Authors: | Suzuki, M, Baba, D, Hanzawa, H. | Deposit date: | 2018-10-29 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model. Mol.Cancer Ther., 19, 2020
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8GV5
| Crystal structure of PN-SIA28 in complex with influenza hemagglutinin A/swine/Guangdong/104/2013 (H1N1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Chen, Y, Song, H, Qi, J, Gao, G.F. | Deposit date: | 2022-09-14 | Release date: | 2022-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes. Nat Commun, 13, 2022
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8GV6
| Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H14 (A/long-tailed duck/Wisconsin/10OS3912/2010) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin H14-HA1, ... | Authors: | Chen, Y, Song, H, Qi, J, Gao, G.F. | Deposit date: | 2022-09-14 | Release date: | 2022-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes. Nat Commun, 13, 2022
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8GV7
| Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H18 A/flat-faced bat/Peru/033/2010 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin H18-HA1, ... | Authors: | Chen, Y, Song, H, Qi, J, Gao, G.F. | Deposit date: | 2022-09-14 | Release date: | 2022-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes. Nat Commun, 13, 2022
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8GV4
| A human broadly neutralizing influenza A hemagglutinin stem-specific antibody PN-SIA28 | Descriptor: | PN-SIA28 heavy chain, PN-SIA28 light chain | Authors: | Chen, Y, Song, H, Qi, J, Gao, G.F. | Deposit date: | 2022-09-14 | Release date: | 2022-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes. Nat Commun, 13, 2022
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6P11
| Structure of spastin AAA domain (T692A mutant) in complex with JNJ-7706621 inhibitor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Drosophila melanogaster Spastin AAA domain, ... | Authors: | Pisa, R, Cupido, T, Kapoor, T.M. | Deposit date: | 2019-05-17 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins. Cell Chem Biol, 26, 2019
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6E6J
| BRD2_Bromodomain2 complex with inhibitor 744 | Descriptor: | Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Longenecker, K.L, Park, C.H, Bigelow, L. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
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5M43
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2C2T
| Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate | Descriptor: | (S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | Authors: | leung, A.K.W, reynolds, R.C, riordan, J.M, borhani, D.W. | Deposit date: | 2005-09-30 | Release date: | 2007-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation. J.Med.Chem., 50, 2007
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7VKH
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7VKG
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8G9W
| Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 1) | 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: | Changela, A, Gorman, J, Kwong, P.D. | Deposit date: | 2023-02-22 | Release date: | 2023-04-19 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (4.66 Å) | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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8G9Y
| Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 3) | 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: | Changela, A, Gorman, J, Kwong, P.D. | Deposit date: | 2023-02-22 | Release date: | 2023-04-19 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (4.28 Å) | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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8G9X
| Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 2) | 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: | Changela, A, Gorman, J, Kwong, P.D. | Deposit date: | 2023-02-22 | Release date: | 2023-04-19 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (4.46 Å) | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
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6P10
| Structure of spastin AAA domain (N527C mutant) in complex with JNJ-7706621 inhibitor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Drosophila melanogaster Spastin AAA domain, ... | Authors: | Pisa, R, Cupido, T, Kapoor, T.M. | Deposit date: | 2019-05-17 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins. Cell Chem Biol, 26, 2019
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7W92
| Open state of SARS-CoV-2 Delta variant spike protein | Descriptor: | Spike glycoprotein | Authors: | Cong, Y, Liu, C.X. | Deposit date: | 2021-12-09 | Release date: | 2022-01-12 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies. Nat Commun, 13, 2022
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7W9E
| SARS-CoV-2 Delta S-8D3 | Descriptor: | Anti-H5N1 hemagglutinin monoclonal anitbody H5M9 heavy chain, Spike glycoprotein, The light chain of 8D3 fab | Authors: | Cong, Y, Liu, C.X. | Deposit date: | 2021-12-09 | Release date: | 2022-01-12 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies. Nat Commun, 13, 2022
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7W99
| SARS-CoV-2 Delta S-ACE2-C2a | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Cong, Y, Liu, C.X. | Deposit date: | 2021-12-09 | Release date: | 2022-01-12 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies. Nat Commun, 13, 2022
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7W94
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7W9C
| SARS-CoV-2 Delta S-ACE2-C3 | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Cong, Y, Liu, C.X. | Deposit date: | 2021-12-09 | Release date: | 2022-01-12 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies. Nat Commun, 13, 2022
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8GS9
| SARS-CoV-2 BA.2 spike RBD in complex bound with VacBB-551 | Descriptor: | Heavy chain of VacBB-551, Light chain of VacBB-551, Spike glycoprotein | Authors: | Liu, C.C, Ju, B, Shen, S.L, Zhang, Z. | Deposit date: | 2022-09-05 | Release date: | 2023-05-03 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Omicron BQ.1.1 and XBB.1 unprecedentedly escape broadly neutralizing antibodies elicited by prototype vaccination. Cell Rep, 42, 2023
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7W98
| SARS-CoV-2 Delta S-ACE2-C1 | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Cong, Y, Liu, C.X. | Deposit date: | 2021-12-09 | Release date: | 2022-01-12 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies. Nat Commun, 13, 2022
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