7WPD
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![BU of 7wpd by Molmil](/molmil-images/mine/7wpd) | SARS-CoV-2 Omicron Variant S Trimer complexed with one JMB2002 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ... | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | Deposit date: | 2022-01-23 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody. Science, 375, 2022
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7WPF
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![BU of 7wpf by Molmil](/molmil-images/mine/7wpf) | SARS-CoV-2 Omicron Variant S Trimer complexed with three JMB2002 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ... | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | Deposit date: | 2022-01-23 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody. Science, 375, 2022
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7WRV
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![BU of 7wrv by Molmil](/molmil-images/mine/7wrv) | The interface of JMB2002 Fab binds to SARS-CoV-2 Omicron Variant S | Descriptor: | JMB2002 Fab heavy chain, JMB2002 Fab light chain, Spike glycoprotein | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | Deposit date: | 2022-01-27 | Release date: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody. Science, 375, 2022
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7WPE
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![BU of 7wpe by Molmil](/molmil-images/mine/7wpe) | SARS-CoV-2 Omicron Variant S Trimer complexed with two JMB2002 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ... | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | Deposit date: | 2022-01-23 | Release date: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody. Science, 375, 2022
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7CCD
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![BU of 7ccd by Molmil](/molmil-images/mine/7ccd) | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*AS*AP*CP*GP*TP*G)-3'), HNHc domain-containing protein | Authors: | Yu, H, Li, J, Liu, G, Zhao, G, Wang, Y, Hu, W, Deng, Z, Gan, J, Zhao, Y, He, X. | Deposit date: | 2020-06-16 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses. Nucleic Acids Res., 48, 2020
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7V6V
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![BU of 7v6v by Molmil](/molmil-images/mine/7v6v) | |
4UXL
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![BU of 4uxl by Molmil](/molmil-images/mine/4uxl) | Structure of Human ROS1 Kinase Domain in Complex with PF-06463922 | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2014-08-25 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations. Proc.Natl.Acad.Sci.USA, 112, 2015
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1MAG
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![BU of 1mag by Molmil](/molmil-images/mine/1mag) | |
4N7S
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![BU of 4n7s by Molmil](/molmil-images/mine/4n7s) | Crystal structure of Tse3-Tsi3 complex with Zinc ion | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Shang, G.J. | Deposit date: | 2013-10-16 | Release date: | 2014-04-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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4N88
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![BU of 4n88 by Molmil](/molmil-images/mine/4n88) | Crystal structure of Tse3-Tsi3 complex with calcium ion | Descriptor: | CALCIUM ION, Uncharacterized protein | Authors: | Shang, G.J. | Deposit date: | 2013-10-17 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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4N80
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![BU of 4n80 by Molmil](/molmil-images/mine/4n80) | Crystal structure of Tse3-Tsi3 complex | Descriptor: | CALCIUM ION, Uncharacterized protein, ZINC ION | Authors: | Shang, G.J. | Deposit date: | 2013-10-16 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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5XBW
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![BU of 5xbw by Molmil](/molmil-images/mine/5xbw) | The structure of BrlR | Descriptor: | Probable transcriptional regulator | Authors: | Wang, F, Qing, H, Gu, L. | Deposit date: | 2017-03-21 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.109 Å) | Cite: | BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin. Nat Commun, 9, 2018
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5XBI
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![BU of 5xbi by Molmil](/molmil-images/mine/5xbi) | |
5XBT
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![BU of 5xbt by Molmil](/molmil-images/mine/5xbt) | The structure of BrlR bound to c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Wang, F, Qing, H, Gu, L. | Deposit date: | 2017-03-21 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin. Nat Commun, 9, 2018
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4W2R
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![BU of 4w2r by Molmil](/molmil-images/mine/4w2r) | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | Deposit date: | 2017-09-25 | Release date: | 2017-12-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 2018
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5L2I
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![BU of 5l2i by Molmil](/molmil-images/mine/5l2i) | The X-ray co-crystal structure of human CDK6 and Palbociclib. | Descriptor: | 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Cyclin-dependent kinase 6 | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-01 | Release date: | 2016-08-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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5L2S
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![BU of 5l2s by Molmil](/molmil-images/mine/5l2s) | The X-ray co-crystal structure of human CDK6 and Abemaciclib. | Descriptor: | Cyclin-dependent kinase 6, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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5L2W
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![BU of 5l2w by Molmil](/molmil-images/mine/5l2w) | The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib. | Descriptor: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, ... | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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5L2T
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![BU of 5l2t by Molmil](/molmil-images/mine/5l2t) | The X-ray co-crystal structure of human CDK6 and Ribociclib. | Descriptor: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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6LPW
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![BU of 6lpw by Molmil](/molmil-images/mine/6lpw) | |
6M05
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![BU of 6m05 by Molmil](/molmil-images/mine/6m05) | Trimolecular G-quadruplex | Descriptor: | DNA (5'-D(*GP*TP*TP*AP*GP*G)-3') | Authors: | Jing, H.T, Fu, W.Q, Zhang, N. | Deposit date: | 2020-02-20 | Release date: | 2021-01-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structural study on the self-trimerization of d(GTTAGG) into a dynamic trimolecular G-quadruplex assembly preferentially in Na+ solution with a moderate K+ tolerance. Nucleic Acids Res., 49, 2021
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1Y29
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![BU of 1y29 by Molmil](/molmil-images/mine/1y29) | |
2FEK
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![BU of 2fek by Molmil](/molmil-images/mine/2fek) | Structure of a protein tyrosine phosphatase | Descriptor: | Low molecular weight protein-tyrosine-phosphatase wzb | Authors: | Lescop, E, Jin, C. | Deposit date: | 2005-12-16 | Release date: | 2006-05-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The solution structure of Escherichia coli Wzb reveals a novel substrate recognition mechanism of prokaryotic low molecular weight protein-tyrosine phosphatases J.Biol.Chem., 281, 2006
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8JED
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![BU of 8jed by Molmil](/molmil-images/mine/8jed) | Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors | Descriptor: | mRNA-capping enzyme regulatory subunit OPG124 | Authors: | Wang, D, Zhao, R, Shu, W, Hu, W, Wang, M, Cao, J, Zhou, X. | Deposit date: | 2023-05-15 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors. Int.J.Biol.Macromol., 253, 2023
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4DDP
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![BU of 4ddp by Molmil](/molmil-images/mine/4ddp) | |