7VRE
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![BU of 7vre by Molmil](/molmil-images/mine/7vre) | The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 | Descriptor: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor | Authors: | Zhu, S.J. | Deposit date: | 2021-10-22 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.507 Å) | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J.Med.Chem., 65, 2022
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7VRA
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![BU of 7vra by Molmil](/molmil-images/mine/7vra) | The crystal structure of EGFR T790M/C797S with the inhibitor HC5476 | Descriptor: | 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane, Epidermal growth factor receptor | Authors: | Zhu, S.J. | Deposit date: | 2021-10-22 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J.Med.Chem., 65, 2022
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7VAA
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7VA8
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![BU of 7va8 by Molmil](/molmil-images/mine/7va8) | Crystal structure of MiCGT | Descriptor: | UDP-glycosyltransferase 13, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Zhong, L, Zhang, Z.M. | Deposit date: | 2021-08-27 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85003233 Å) | Cite: | Directed Evolution of a Plant Glycosyltransferase for Chemo- and Regioselective Glycosylation of Pharmaceutically Significant Flavonoids Acs Catalysis, 11, 2021
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7VMZ
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7VNG
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![BU of 7vng by Molmil](/molmil-images/mine/7vng) | Crystal structure of human coronavirus 229E spike protein receptor-binding domain in complex with S11 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S11 Fab heavy chain, S11 Fab light chain, ... | Authors: | Xiang, J.C, Zhao, W.W, Yang, B. | Deposit date: | 2021-10-11 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Antigenic mapping reveals sites of vulnerability on alpha-HCoV spike protein. Commun Biol, 5, 2022
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7VN9
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8WD0
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![BU of 8wd0 by Molmil](/molmil-images/mine/8wd0) | Crystal structure of T2R-TTL-Erianin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, CALCIUM ION, ... | Authors: | Yang, J. | Deposit date: | 2023-09-14 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The cytotoxic natural compound erianin binds to colchicine site of beta-tubulin and overcomes taxane resistance Bioorg.Chem., 150, 2024
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7FI4
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![BU of 7fi4 by Molmil](/molmil-images/mine/7fi4) | Structure of AcrIF13 | Descriptor: | AcrIF13 | Authors: | Feng, Y, Gao, T. | Deposit date: | 2021-07-30 | Release date: | 2022-07-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13. J.Biol.Chem., 298, 2022
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8GUN
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8GUP
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![BU of 8gup by Molmil](/molmil-images/mine/8gup) | Crystal structure of EsaG from Staphylococcus aureus | Descriptor: | CITRIC ACID, Type VII secretion system protein EsaG | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2022-09-13 | Release date: | 2022-11-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.298725 Å) | Cite: | A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria. Nat Commun, 13, 2022
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8GUO
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7LUA
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![BU of 7lua by Molmil](/molmil-images/mine/7lua) | Cryo-EM structure of DH898.1 Fab-dimer bound near the CD4 binding site of HIV-1 Env CH848 SOSIP trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848 SOSIP gp120, ... | Authors: | Manne, K, Edwards, R.J, Acharya, P. | Deposit date: | 2021-02-21 | Release date: | 2021-03-17 | Last modified: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies. Cell, 184, 2021
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7LU9
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![BU of 7lu9 by Molmil](/molmil-images/mine/7lu9) | Cryo-EM structure of DH851.3 bound to HIV-1 CH505 Env | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Manne, K, Edwards, R.J, Acharya, P. | Deposit date: | 2021-02-21 | Release date: | 2021-03-24 | Last modified: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies. Cell, 184, 2021
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7LUB
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5EWS
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![BU of 5ews by Molmil](/molmil-images/mine/5ews) | Sugar binding protein - human galectin-2 | Descriptor: | Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J.Y, Si, Y.L. | Deposit date: | 2015-11-21 | Release date: | 2016-09-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination. Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
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7MSD
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![BU of 7msd by Molmil](/molmil-images/mine/7msd) | Structure of EED bound to EEDi-6068 | Descriptor: | (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED | Authors: | Petrunak, E, Stuckey, J. | Deposit date: | 2021-05-11 | Release date: | 2021-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7MSB
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![BU of 7msb by Molmil](/molmil-images/mine/7msb) | Structure of EED bound to EEDi-4259 | Descriptor: | (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED | Authors: | Petrunak, E, Stuckey, J. | Deposit date: | 2021-05-11 | Release date: | 2021-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7MBH
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![BU of 7mbh by Molmil](/molmil-images/mine/7mbh) | Structure of Human Enolase 2 in complex with phosphoserine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ... | Authors: | Leonard, P.G, Hicks, K.G, Rutter, J. | Deposit date: | 2021-03-31 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase. Science, 379, 2023
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7MRY
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![BU of 7mry by Molmil](/molmil-images/mine/7mry) | Norovirus T=3 GII.4 HOV VLP | Descriptor: | VP1 | Authors: | Salmen, W, Hu, L, Prasad, B. | Deposit date: | 2021-05-10 | Release date: | 2022-03-02 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic structure of the predominant GII.4 human norovirus capsid reveals novel stability and plasticity. Nat Commun, 13, 2022
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5TBP
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![BU of 5tbp by Molmil](/molmil-images/mine/5tbp) | Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003 | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X. | Deposit date: | 2016-09-12 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha. Nat Commun, 8, 2017
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5J4Y
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5J40
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![BU of 5j40 by Molmil](/molmil-images/mine/5j40) | The X-ray structure of JCV Helicase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, SULFATE ION, ... | Authors: | Ter Haar, E. | Deposit date: | 2016-03-31 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors. J.Med.Chem., 59, 2016
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5DG2
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![BU of 5dg2 by Molmil](/molmil-images/mine/5dg2) | Sugar binding protein - human galectin-2 (dimer) | Descriptor: | Galectin-2, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Su, J.Y, Si, Y.L. | Deposit date: | 2015-08-27 | Release date: | 2016-09-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.612 Å) | Cite: | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination. Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
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5J4V
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![BU of 5j4v by Molmil](/molmil-images/mine/5j4v) | The crystal structure of Inhibitor Bound to JCV Helicase | Descriptor: | 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, ... | Authors: | Ter Haar, E. | Deposit date: | 2016-04-01 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors. J.Med.Chem., 59, 2016
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