7D1M
| CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fu, L.F, Gilski, M, Shabalin, I, Gao, G.F, Qi, J.X. | Deposit date: | 2020-09-14 | Release date: | 2020-10-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease. Nat Commun, 11, 2020
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6YW7
| Cryo-EM structure of the ARP2/3 1A5C isoform complex. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1A, ... | Authors: | von Loeffelholz, O, Moores, C, Purkiss, A. | Deposit date: | 2020-04-29 | Release date: | 2020-07-22 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM of human Arp2/3 complexes provides structural insights into actin nucleation modulation by ARPC5 isoforms. Biol Open, 9, 2020
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7D9V
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7D8P
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7D8H
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7UTZ
| Human thyrotropin analog TR1402 bound to human Thyrotropin receptor in complex with miniGs399 (composite structure) | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein hormones alpha chain analog TR1402, ... | Authors: | Faust, B, Cheng, Y, Manglik, A. | Deposit date: | 2022-04-28 | Release date: | 2022-08-03 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor. Nature, 609, 2022
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7VDU
| The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1 | Descriptor: | Cyclin-dependent kinase 2, [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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6HRQ
| Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-09-28 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTI
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6 | Descriptor: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTT
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HGO
| Crystal Structure of human IL-17F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17F, ... | Authors: | Rondeau, J.M, Goepfert, A. | Deposit date: | 2018-08-23 | Release date: | 2019-11-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling. Immunity, 52, 2020
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6ZFV
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3I4B
| Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide | Authors: | Ter Haar, E. | Deposit date: | 2009-07-01 | Release date: | 2010-01-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control. J.Med.Chem., 52, 2009
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7V3U
| Cryo-EM structure of MCM double hexamer with structured Mcm4-NSD | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ... | Authors: | Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y. | Deposit date: | 2021-08-11 | Release date: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase. Nat Commun, 13, 2022
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7V3V
| Cryo-EM structure of MCM double hexamer bound with DDK in State I | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 7, DDK kinase regulatory subunit DBF4, ... | Authors: | Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y. | Deposit date: | 2021-08-11 | Release date: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase. Nat Commun, 13, 2022
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6HT8
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3 | Descriptor: | 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Marek, M, Shaik, T.B, Romier, C. | Deposit date: | 2018-10-03 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU2
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 11 | Descriptor: | 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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3J4R
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6K02
| Crystal structure of ceNAP1 core | Descriptor: | Nucleosome Assembly Protein, ZINC ION | Authors: | Liu, Y.R. | Deposit date: | 2019-05-05 | Release date: | 2019-10-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.162 Å) | Cite: | Crystal structure of xlH2A-H2B Structure, 2019
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6K5W
| Solution structure of the chromodomain of yeast Eaf3 | Descriptor: | Chromatin modification-related protein EAF3 | Authors: | Okuda, M, Nishimura, Y. | Deposit date: | 2019-05-31 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Eaf3 chromodomain acts as a pH sensor for gene expression by altering its binding affinity for histone methylated-lysine residues. Biosci.Rep., 40, 2020
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6K7P
| Crystal structure of human AFF4-THD domain | Descriptor: | AF4/FMR2 family member 4 | Authors: | Tang, D, Xue, Y, Li, S, Cheng, W, Duan, J, Wang, J, Qi, S. | Deposit date: | 2019-06-08 | Release date: | 2020-03-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional insight into the effect of AFF4 dimerization on activation of HIV-1 proviral transcription. Cell Discov, 6, 2020
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6HSG
| Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-01 | Release date: | 2018-10-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.846 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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7W8G
| Cryo-EM structure of MCM double hexamer | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ... | Authors: | Cheng, J, Li, N, Tye, B, Zhai, Y, Gao, N. | Deposit date: | 2021-12-07 | Release date: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase. Nat Commun, 13, 2022
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7WQ4
| Galanin-bound galanin receptor 2 in complex with Gq | Descriptor: | CHOLESTEROL, Engineered Guanine nucleotide-binding protein G(q) subunit alpha, Galanin, ... | Authors: | Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y. | Deposit date: | 2022-01-24 | Release date: | 2022-04-20 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors Nat Commun, 13, 2022
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7WQ3
| Galanin-bound galanin receptor 1 in complex with Gi | Descriptor: | CHOLESTEROL, Galanin, Galanin receptor type 1, ... | Authors: | Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y. | Deposit date: | 2022-01-24 | Release date: | 2022-04-20 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors Nat Commun, 13, 2022
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