8H82
 
 | | Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (E166V) in complex with protease inhibitor Nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Lin, M, Liu, X. | | Deposit date: | 2022-10-21 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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8H4Y
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) F140L Mutant in Complex with Inhibitor Nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Lin, M, Liu, X. | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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8HBK
 | | The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Lin, M. | | Deposit date: | 2022-10-29 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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8GOU
 | | Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... | | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | | Deposit date: | 2022-08-25 | | Release date: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
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8GPY
 | | Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | | Descriptor: | Spike protein S1, scFv | | Authors: | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | | Deposit date: | 2022-08-27 | | Release date: | 2023-06-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
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6IJ7
 | | Crystal Structure of Arabidopsis thaliana UGT89C1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Rhamnosyltransferase protein | | Authors: | Zong, G, Wang, X. | | Deposit date: | 2018-10-09 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
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6WJ5
 | | Structure of human TRPA1 in complex with inhibitor GDC-0334 | | Descriptor: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | | Authors: | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | | Deposit date: | 2020-04-11 | | Release date: | 2021-02-17 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
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3OUQ
 | | Structure of N-terminal hexaheme fragment of GSU1996 | | Descriptor: | Cytochrome c family protein, HEME C | | Authors: | Pokkuluri, P.R, Schiffer, M. | | Deposit date: | 2010-09-15 | | Release date: | 2010-12-29 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of a novel dodecaheme cytochrome c from Geobacter sulfurreducens reveals an extended 12nm protein with interacting hemes.
J.Struct.Biol., 174, 2011
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3OV0
 | | Structure of dodecaheme cytochrome c GSU1996 | | Descriptor: | Cytochrome c family protein, HEME C | | Authors: | Pokkuluri, P.R, Schiffer, M. | | Deposit date: | 2010-09-15 | | Release date: | 2010-12-29 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of a novel dodecaheme cytochrome c from Geobacter sulfurreducens reveals an extended 12nm protein with interacting hemes.
J.Struct.Biol., 174, 2011
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3OUE
 | | Structure of C-terminal hexaheme fragment of GSU1996 | | Descriptor: | Cytochrome c family protein, HEME C, SULFATE ION | | Authors: | Pokkuluri, P.R, Schiffer, M. | | Deposit date: | 2010-09-14 | | Release date: | 2010-12-29 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of a novel dodecaheme cytochrome c from Geobacter sulfurreducens reveals an extended 12nm protein with interacting hemes.
J.Struct.Biol., 174, 2011
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1ZV4
 | | Structure of the Regulator of G-Protein Signaling 17 (RGSZ2) | | Descriptor: | Regulator of G-protein signaling 17 | | Authors: | Schoch, G.A, Jansson, A, Elkins, J.M, Haroniti, A, Niesen, F.H, Bunkoczi, G, Lee, W.H, Turnbull, A.P, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Marsden, B, Gileadi, O, Ball, L, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-01 | | Release date: | 2005-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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7YQE
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7SHP
 | | Crystal structure of hSTING in complex with c[2',3'-(ribo-2'-G, xylo-3'-A)-MP](RJ244) | | Descriptor: | (2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | | Authors: | Xie, W, Lama, L, Yang, X.J, Kuryavyi, V, Nudelman, I, Glickman, J.F, Jones, R.A, Tuschl, T, Patel, D.J. | | Deposit date: | 2021-10-11 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Arabinose- and xylose-modified analogs of 2',3'-cGAMP act as STING agonists.
Cell Chem Biol, 2023
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7SHO
 | | Crystal structure of hSTING in complex with c[2',3'-(ara-2'-G, ribo-3'-A)-MP] (RJ242) | | Descriptor: | (2R,5R,7R,8S,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | | Authors: | Xie, W, Lama, L, Yang, X.J, Kuryavyi, V, Nudelman, I, Glickman, J.F, Jones, R.A, Tuschl, T, Patel, D.J. | | Deposit date: | 2021-10-10 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Arabinose- and xylose-modified analogs of 2',3'-cGAMP act as STING agonists.
Cell Chem Biol, 2023
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5TQR
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8HNS
 | | Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form | | Descriptor: | GLYCEROL, anti-CRISPR protein AcrIIC4 | | Authors: | Sun, W, Cheng, Z, Yang, J, Wang, Y. | | Deposit date: | 2022-12-08 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7F3B
 | | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | | Descriptor: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | | Authors: | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | | Deposit date: | 2021-06-16 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
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6U3U
 | | Crystal Structure of Shiga Toxin 2K | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Shiga toxin 2K subunit A, ... | | Authors: | Zhang, Y.Z, He, X.H. | | Deposit date: | 2019-08-22 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.287 Å) | | Cite: | Structural and Functional Characterization of Stx2k, a New Subtype of Shiga Toxin 2.
Microorganisms, 8, 2019
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3L82
 | | X-ray Crystal structure of TRF1 and Fbx4 complex | | Descriptor: | F-box only protein 4, Telomeric repeat-binding factor 1 | | Authors: | Zeng, Z.X, Wang, W, Yang, Y.T, Chen, Y, Yang, X.M, Diehl, J.A, Liu, X.D, Lei, M. | | Deposit date: | 2009-12-29 | | Release date: | 2010-03-09 | | Last modified: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Selective Ubiquitination of TRF1 by SCF(Fbx4)
Dev.Cell, 18, 2010
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5XKJ
 | | Crystal structure of plant receptor ERL1-TMM in complexe with EPF2 | | Descriptor: | LRR receptor-like serine/threonine-protein kinase ERL1, Protein EPIDERMAL PATTERNING FACTOR 2, Protein TOO MANY MOUTHS | | Authors: | Chai, J, Lin, G. | | Deposit date: | 2017-05-07 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.475 Å) | | Cite: | A receptor-like protein acts as a specificity switch for the regulation of stomatal development.
Genes Dev., 31, 2017
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8HNW
 | | Crystal structure of HpaCas9-sgRNA surveillance complex bound to double-stranded DNA | | Descriptor: | CRISPR-associated endonuclease Cas9, Non-target strand, Target strand, ... | | Authors: | Sun, W, Cheng, Z, Wang, Y. | | Deposit date: | 2022-12-08 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8HNT
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4QQN
 | | Protein arginine methyltransferase 3 in complex with compound MTV044246 | | Descriptor: | 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ... | | Authors: | Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-27 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
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6NQ3
 | | Crystal Structure of a SUZ12-RBBP4-PHF19-JARID2 Heterotetrameric Complex | | Descriptor: | Histone-binding protein RBBP4, PHD finger protein 19, Polycomb protein SUZ12, ... | | Authors: | Chen, S, Jiao, L, Liu, X. | | Deposit date: | 2019-01-19 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | A Dimeric Structural Scaffold for PRC2-PCL Targeting to CpG Island Chromatin.
Mol.Cell, 77, 2020
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7VAH
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