7BW4
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![BU of 7bw4 by Molmil](/molmil-images/mine/7bw4) | Structure of the RNA-dependent RNA polymerase from SARS-CoV-2 | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | Authors: | Peng, Q, Peng, R, Shi, Y. | Deposit date: | 2020-04-13 | Release date: | 2020-05-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural and Biochemical Characterization of the nsp12-nsp7-nsp8 Core Polymerase Complex from SARS-CoV-2. Cell Rep, 31, 2020
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5DRQ
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![BU of 5drq by Molmil](/molmil-images/mine/5drq) | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex | Descriptor: | N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | Deposit date: | 2015-09-16 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
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6K7P
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![BU of 6k7p by Molmil](/molmil-images/mine/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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3K3I
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![BU of 3k3i by Molmil](/molmil-images/mine/3k3i) | p38alpha bound to novel DGF-out compound PF-00215955 | Descriptor: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Kazmirski, S.L, DiNitto, J.P. | Deposit date: | 2009-10-02 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay. Chem.Biol.Drug Des., 74, 2009
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6KMH
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![BU of 6kmh by Molmil](/molmil-images/mine/6kmh) | The crystal structure of CASK/Mint1 complex | Descriptor: | Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ... | Authors: | Li, W, Feng, W. | Deposit date: | 2019-07-31 | Release date: | 2020-08-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion. Cell Discov, 6, 2020
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8JJ9
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![BU of 8jj9 by Molmil](/molmil-images/mine/8jj9) | |
6BAW
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![BU of 6baw by Molmil](/molmil-images/mine/6baw) | Structure of GRP94 with a selective resorcinylic inhibitor. | Descriptor: | 1,2-ETHANEDIOL, Endoplasmin, PHOSPHATE ION, ... | Authors: | Que, N.L.S, Gewirth, D.T. | Deposit date: | 2017-10-16 | Release date: | 2018-04-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding. J. Med. Chem., 61, 2018
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6CEO
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![BU of 6ceo by Molmil](/molmil-images/mine/6ceo) | |
5Y6P
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![BU of 5y6p by Molmil](/molmil-images/mine/5y6p) | Structure of the phycobilisome from the red alga Griffithsia pacifica | Descriptor: | ApcD, ApcF, LC, ... | Authors: | Zhang, J, Ma, J.F, Liu, D.S, Sun, S, Sui, S.F. | Deposit date: | 2017-08-13 | Release date: | 2017-11-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of phycobilisome from the red alga Griffithsia pacifica Nature, 551, 2017
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7X83
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![BU of 7x83 by Molmil](/molmil-images/mine/7x83) | Cryo-EM structure of the TMEM106B fibril from normal elder | Descriptor: | Transmembrane protein 106B | Authors: | Xia, W.C, Zhao, Q.Y, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C. | Deposit date: | 2022-03-11 | Release date: | 2022-06-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders. Cell Res., 32, 2022
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7X84
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![BU of 7x84 by Molmil](/molmil-images/mine/7x84) | Cryo-EM structure of the TMEM106B fibril from Parkinson's disease dementia | Descriptor: | Transmembrane protein 106B | Authors: | Zhao, Q.Y, Xia, W.C, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C. | Deposit date: | 2022-03-11 | Release date: | 2022-06-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders. Cell Res., 32, 2022
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6C91
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![BU of 6c91 by Molmil](/molmil-images/mine/6c91) | Structure of GRP94 with a resorcinylic inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol, Endoplasmin, ... | Authors: | Que, N.L.S, Gewirth, D.T. | Deposit date: | 2018-01-25 | Release date: | 2018-04-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.895 Å) | Cite: | Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding. J. Med. Chem., 61, 2018
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4MK7
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![BU of 4mk7 by Molmil](/molmil-images/mine/4mk7) | |
4MK8
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![BU of 4mk8 by Molmil](/molmil-images/mine/4mk8) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 4 (N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide) | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide, ... | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2013-09-04 | Release date: | 2013-10-09 | Last modified: | 2014-01-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
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4MKB
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4MK9
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![BU of 4mk9 by Molmil](/molmil-images/mine/4mk9) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 12 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | Descriptor: | GLYCEROL, N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2013-09-04 | Release date: | 2013-10-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
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7XOE
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![BU of 7xoe by Molmil](/molmil-images/mine/7xoe) | Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
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7XOG
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![BU of 7xog by Molmil](/molmil-images/mine/7xog) | Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide, ... | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
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7YE9
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![BU of 7ye9 by Molmil](/molmil-images/mine/7ye9) | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | Deposit date: | 2022-07-05 | Release date: | 2022-08-24 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (4.17 Å) | Cite: | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope. Nat Microbiol, 7, 2022
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4MKA
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![BU of 4mka by Molmil](/molmil-images/mine/4mka) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 13 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide, ... | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2013-09-04 | Release date: | 2013-10-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
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6L7O
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![BU of 6l7o by Molmil](/molmil-images/mine/6l7o) | cryo-EM structure of cyanobacteria Fd-NDH-1L complex | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ... | Authors: | Zhang, C, Shuai, J, Wu, J, Lei, M. | Deposit date: | 2019-11-02 | Release date: | 2020-02-19 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into NDH-1 mediated cyclic electron transfer. Nat Commun, 11, 2020
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4J01
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![BU of 4j01 by Molmil](/molmil-images/mine/4j01) | Crystal Structure of Fischerella Transcription Factor HetR complexed with 29mer DNA target | Descriptor: | DNA (29-MER), SULFATE ION, Transcription Factor HetR | Authors: | Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-01-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.246 Å) | Cite: | Structures of complexes comprised of Fischerella transcription factor HetR with Anabaena DNA targets. Proc.Natl.Acad.Sci.USA, 110, 2013
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4IZZ
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![BU of 4izz by Molmil](/molmil-images/mine/4izz) | Crystal Structure of Fischerella Transcription Factor HetR complexed with 21mer DNA target | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*AP*AP*CP*CP*CP*CP*TP*CP*AP*C)-3'), SULFATE ION, ... | Authors: | Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-01-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structures of complexes comprised of Fischerella transcription factor HetR with Anabaena DNA targets. Proc.Natl.Acad.Sci.USA, 110, 2013
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8C3W
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![BU of 8c3w by Molmil](/molmil-images/mine/8c3w) | Crystal structure of a computationally designed heme binding protein, dnHEM1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ortmayer, M, Levy, C. | Deposit date: | 2022-12-29 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site. J.Am.Chem.Soc., 145, 2023
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8H7Z
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![BU of 8h7z by Molmil](/molmil-images/mine/8h7z) | |