7EFP
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![BU of 7efp by Molmil](/molmil-images/mine/7efp) | Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Lu, G.W, Ye, F, Lin, X. | Deposit date: | 2021-03-22 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis. Signal Transduct Target Ther, 6, 2021
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6OWK
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1NDM
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![BU of 1ndm by Molmil](/molmil-images/mine/1ndm) | |
8G3C
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![BU of 8g3c by Molmil](/molmil-images/mine/8g3c) | |
5JDK
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8G3E
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![BU of 8g3e by Molmil](/molmil-images/mine/8g3e) | Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) | Descriptor: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 | Authors: | Zhao, M. | Deposit date: | 2023-02-07 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction. J.Med.Chem., 66, 2023
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8GVJ
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![BU of 8gvj by Molmil](/molmil-images/mine/8gvj) | Crystal structure of cMET kinase domain bound by D6808 | Descriptor: | (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor | Authors: | Chen, Y.H, Qu, L.Z. | Deposit date: | 2022-09-15 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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6JM5
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![BU of 6jm5 by Molmil](/molmil-images/mine/6jm5) | Crystal structure of TBC1D23 C terminal domain | Descriptor: | SODIUM ION, TBC1 domain family member 23 | Authors: | Sun, Q, Huang, W. | Deposit date: | 2019-03-07 | Release date: | 2019-10-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional studies of TBC1D23 C-terminal domain provide a link between endosomal trafficking and PCH. Proc.Natl.Acad.Sci.USA, 116, 2019
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7DIY
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![BU of 7diy by Molmil](/molmil-images/mine/7diy) | Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-exoribonuclease domain | Descriptor: | MAGNESIUM ION, ZINC ION, nsp10 protein, ... | Authors: | Lin, S, Chen, H, Chen, Z.M, Yang, F.L, Ye, F, Zheng, Y, Yang, J, Lin, X, Sun, H.L, Wang, L.L, Wen, A, Cao, Y, Lu, G.W. | Deposit date: | 2020-11-19 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-ExoN domain reveals an exoribonuclease with both structural and functional integrity. Nucleic Acids Res., 49, 2021
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2JR7
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![BU of 2jr7 by Molmil](/molmil-images/mine/2jr7) | Solution structure of human DESR1 | Descriptor: | DPH3 homolog, ZINC ION | Authors: | Wu, F, Wu, J, Shi, Y. | Deposit date: | 2007-06-21 | Release date: | 2008-03-25 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structure of human DESR1, a CSL zinc-binding protein Proteins, 71, 2008
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7WSW
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![BU of 7wsw by Molmil](/molmil-images/mine/7wsw) | Cryo-EM structure of the Potassium channel AKT1 from Arabidopsis thaliana | Descriptor: | PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, Potassium channel AKT1 | Authors: | Yang, G.H, Lu, Y.M, Zhang, Y.M, Jia, Y.T, Li, X.M, Lei, J.L. | Deposit date: | 2022-02-02 | Release date: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis. Nat Commun, 13, 2022
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7BZJ
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![BU of 7bzj by Molmil](/molmil-images/mine/7bzj) | The Discovery of Benzhydrol-Oxaborole Hybrid Derivatives as Leucyl-tRNA Synthetase Inhibitors | Descriptor: | Leucine--tRNA ligase, [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium | Authors: | Liu, R.J, Li, H, Wang, E.D, Zhou, H. | Deposit date: | 2020-04-28 | Release date: | 2020-12-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of benzhydrol-oxaborole derivatives as Streptococcus pneumoniae leucyl-tRNA synthetase inhibitors. Bioorg.Med.Chem., 29, 2021
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7BP3
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![BU of 7bp3 by Molmil](/molmil-images/mine/7bp3) | Cryo-EM structure of the human MCT2 | Descriptor: | Monocarboxylate transporter 2 | Authors: | Zhang, B, Jin, Q, Zhang, X, Guo, J, Ye, S. | Deposit date: | 2020-03-21 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cooperative transport mechanism of human monocarboxylate transporter 2. Nat Commun, 11, 2020
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5B7J
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![BU of 5b7j by Molmil](/molmil-images/mine/5b7j) | Structure model of Sap1-DNA complex | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*TP*TP*GP*TP*TP*TP*TP*G)-3'), DNA (5'-D(*CP*AP*AP*AP*AP*CP*AP*AP*TP*AP*TP*T)-3'), Switch-activating protein 1 | Authors: | Jin, C, Hu, Y, Ding, J, Zhang, Y. | Deposit date: | 2016-06-07 | Release date: | 2017-02-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Sap1 is a replication-initiation factor essential for the assembly of pre-replicative complex in the fission yeast Schizosaccharomyces pombe J. Biol. Chem., 292, 2017
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7BOZ
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7BOY
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7BP0
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7BOX
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7BOU
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![BU of 7bou by Molmil](/molmil-images/mine/7bou) | GP8 of Mature Bacteriophage T7 | Descriptor: | Portal protein | Authors: | Chen, W.Y, Xiao, H. | Deposit date: | 2020-03-19 | Release date: | 2021-03-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural changes of a bacteriophage upon DNA packaging and maturation. Protein Cell, 11, 2020
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7X4B
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![BU of 7x4b by Molmil](/molmil-images/mine/7x4b) | Crystal Structure of An Anti-CRISPR Protein | Descriptor: | Anti-CRISPR protein (AcrIIC1), SULFATE ION | Authors: | Hu, J, Zhang, S, Gao, J.Y, Liu, X, Liu, J. | Deposit date: | 2022-03-02 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1. Nat Commun, 13, 2022
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7FCV
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![BU of 7fcv by Molmil](/molmil-images/mine/7fcv) | Cryo-EM structure of the Potassium channel AKT1 mutant from Arabidopsis thaliana | Descriptor: | PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, Potassium channel AKT1 | Authors: | Yang, G.H, Lu, Y.M, Jia, Y.T, Zhang, Y.M, Tang, R.F, Xu, X, Li, X.M, Lei, J.L. | Deposit date: | 2021-07-15 | Release date: | 2022-11-09 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis. Nat Commun, 13, 2022
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1DJ8
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5ENM
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![BU of 5enm by Molmil](/molmil-images/mine/5enm) | Compound 10 | Descriptor: | (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ... | Authors: | Lewis, H.A. | Deposit date: | 2015-11-09 | Release date: | 2016-10-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents. Acs Med.Chem.Lett., 7, 2016
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8GDC
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![BU of 8gdc by Molmil](/molmil-images/mine/8gdc) | Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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8GD9
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![BU of 8gd9 by Molmil](/molmil-images/mine/8gd9) | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | Descriptor: | 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Shenming, H, Mengyao, X, Lei, L, Yang, D, Sheng, C, Jinpeng, S. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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