5Z5V
| The first bromodomain of BRD4 with compound BDF-1253 | Descriptor: | Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide | Authors: | Zhang, H, Luo, C. | Deposit date: | 2018-01-20 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma. Oncogenesis, 7, 2018
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5Z5U
| The first bromodomain of BRD4 with compound BDF-2254 | Descriptor: | 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4 | Authors: | Zhang, H, Luo, C. | Deposit date: | 2018-01-20 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma. Oncogenesis, 7, 2018
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8IV5
| Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement) | Descriptor: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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8IV8
| Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement) | Descriptor: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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8IVA
| Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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8IV4
| Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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3QCE
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3QCL
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3QCM
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3QCK
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3QCI
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3QCD
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3RHZ
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6GY1
| rat COMT in complex with inhibitor | Descriptor: | 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol, Catechol O-methyltransferase, DIMETHYL SULFOXIDE, ... | Authors: | Schulze, M.-S. | Deposit date: | 2018-06-27 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Optimization of 8-Hydroxyquinolines as Inhibitors of Catechol O-Methyltransferase. J. Med. Chem., 61, 2018
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9C5P
| Inhibitor bound VIM1 | Descriptor: | (2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, MAGNESIUM ION, Metallo-beta-lactamase type 2, ... | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2024-06-06 | Release date: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Discovery of sulfone containing metallo-beta-lactamase inhibitors with reduced bacterial cell efflux and histamine release issues BMCL, 2024
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5XTS
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5XTW
| Crystal structure of the CysR-CTLD2 fragment of human MR at acidic pH | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Macrophage mannose receptor 1 | Authors: | He, Y, Hu, Z. | Deposit date: | 2017-06-21 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Insights into the pH-Dependent Conformational Change and Collagen Recognition of the Human Mannose Receptor Structure, 26, 2018
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7FAR
| Crystal structure of PDE5A in complex with inhibitor L12 | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | Deposit date: | 2021-07-07 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.40006471 Å) | Cite: | Free energy perturbation (FEP)-guided scaffold hopping. Acta Pharm Sin B, 12, 2022
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7FAQ
| Crystal structure of PDE5A in complex with inhibitor L1 | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | Deposit date: | 2021-07-07 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.200136 Å) | Cite: | Free energy perturbation (FEP)-guided scaffold hopping. Acta Pharm Sin B, 12, 2022
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6JKY
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8I8C
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8I8B
| Outer shell and inner layer structures of Autographa californica multiple nucleopolyhedrovirus (AcMNPV) | Descriptor: | 38K, AcOrf-109 peptide, Early 49 Daa protein, ... | Authors: | Jia, X, Gao, Y, Zhang, Q. | Deposit date: | 2023-02-03 | Release date: | 2023-12-13 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (4.31 Å) | Cite: | Architecture of the baculovirus nucleocapsid revealed by cryo-EM. Nat Commun, 14, 2023
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5XTZ
| Crystal structure of GAS41 YEATS bound to H3K27ac peptide | Descriptor: | ACETATE ION, THR-LYS-ALA-ALA-ARG-ALY-SER-ALA-PRO-ALA, YEATS domain-containing protein 4 | Authors: | Li, H.T, Zhao, D. | Deposit date: | 2017-06-21 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Gas41 links histone acetylation to H2A.Z deposition and maintenance of embryonic stem cell identity. Cell Discov, 4, 2018
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7T6E
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8J4A
| Crystal structure of OY phytoplasma SAP05 in complex with AtRPN10 | Descriptor: | 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein | Authors: | Dong, C, Yan, X, Yuan, X. | Deposit date: | 2023-04-19 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Molecular basis of SAP05-mediated ubiquitin-independent proteasomal degradation of transcription factors. Nat Commun, 15, 2024
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