8DH1
 
 | | T7 RNA polymerase elongation complex with unnatural base dDs-PaTP pair | | Descriptor: | 1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2022-06-24 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
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5KAI
 | | NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2016-06-01 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.80000925 Å) | | Cite: | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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7AL7
 | | The Crystal Structure of Human IL-18 in Complex With Human IL-18 Binding Protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutathione S-transferase class-mu 26 kDa isozyme,Interleukin-18, Interleukin-18-binding protein | | Authors: | Detry, S, Andries, J, Bloch, Y, Clancy, D, Savvides, S.N. | | Deposit date: | 2020-10-05 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structural basis of human IL-18 sequestration by the decoy receptor IL-18 binding protein in inflammation and tumor immunity.
J.Biol.Chem., 298, 2022
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6NU1
 | | Crystal Structure of Human PKM2 in Complex with L-cysteine | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, CYSTEINE, MAGNESIUM ION, ... | | Authors: | Srivastava, D, Nandi, S, Dey, M. | | Deposit date: | 2019-01-30 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2.
Biochemistry, 58, 2019
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6Y84
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | COVID-19 main protease with unliganded active site
To Be Published
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8FW5
 | | Chimeric HsGATOR1-SpGtr-SpLam complex | | Descriptor: | ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ... | | Authors: | Tettoni, S.D, Egri, S.B, Doxsey, D.D, Ouch, C, Chang, J, Song, K, Xu, C, Shen, K. | | Deposit date: | 2023-01-20 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structure of the Schizosaccharomyces pombe Gtr-Lam complex reveals evolutionary divergence of mTORC1-dependent amino acid sensing.
Structure, 31, 2023
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6Y9J
 | | Crystal Structure of subtype-switched Epithelial Adhesin 1 to 9 A domain (Epa1-CBL2Epa9) from Candida glabrata in complex with beta-lactose | | Descriptor: | CALCIUM ION, CHLORIDE ION, Epa1p, ... | | Authors: | Hoffmann, D, Diderrich, R, Kock, M, Friederichs, S, Reithofer, V, Essen, L.-O, Moesch, H.-U. | | Deposit date: | 2020-03-09 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Functional reprogramming ofCandida glabrataepithelial adhesins: the role of conserved and variable structural motifs in ligand binding.
J.Biol.Chem., 295, 2020
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6QP8
 | | Drosophila Semaphorin 2b | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ... | | Authors: | Robinson, R.A, Rozbesky, D, Harlos, K, Siebold, C, Jones, E.Y. | | Deposit date: | 2019-02-13 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning.
Nat Commun, 10, 2019
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8IMX
 | | Cryo-EM structure of GPI-T with a chimeric GPI-anchored protein | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, Y, Li, T, Qu, Q, Li, D. | | Deposit date: | 2023-03-07 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
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6NFF
 | | Structure of X-prolyl dipeptidyl aminopeptidase from Lactobacillus helveticus | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Juers, D.H, Bratt, N.J, Ojennus, D.D. | | Deposit date: | 2018-12-20 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural characterization of a prolyl aminodipeptidase (PepX) from Lactobacillus helveticus.
Acta Crystallogr.,Sect.F, 75, 2019
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8IMY
 | | Cryo-EM structure of GPI-T (inactive mutant) with GPI and proULBP2, a proprotein substrate | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, T, Xu, Y, Qu, Q, Li, D. | | Deposit date: | 2023-03-07 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
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6XF6
 | | Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up) | | 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 | | Authors: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-02 | | Last modified: | 2020-12-02 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
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6XG8
 | | ISCth4 transposase, pre-cleaved complex, PCC | | Descriptor: | DNA (26-MER), Mutator family transposase | | Authors: | Kosek, D, Dyda, F. | | Deposit date: | 2020-06-17 | | Release date: | 2020-10-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structures of ISCth4 transpososomes reveal the role of asymmetry in copy-out/paste-in DNA transposition.
Embo J., 40, 2021
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6O0S
 | | Crystal structure of the tandem SAM domains from human SARM1 | | Descriptor: | Sterile alpha and TIR motif-containing protein 1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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6XM4
 | | Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 2 | | 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 | | Authors: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | | Deposit date: | 2020-06-29 | | Release date: | 2020-08-12 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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6ZAV
 | | NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.19 A resolution (unrestrained, full matrix refinement by SHELX) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | | Authors: | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2020-06-05 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
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8VYE
 | | SARS-CoV-2 S (C.37 Lambda variant) plus S309, S2L20, and S2X303 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Heavy Chain, S2L20 Light Chain, ... | | Authors: | McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2024-02-08 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
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7AAP
 | | Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP | | Descriptor: | MAGNESIUM ION, Non-structural protein 12, Non-structural protein 7, ... | | Authors: | Naydenova, K, Muir, K.W, Wu, L.F, Zhang, Z, Coscia, F, Peet, M, Castro-Hartman, P, Qian, P, Sader, K, Dent, K, Kimanius, D, Sutherland, J.D, Lowe, J, Barford, D, Russo, C.J. | | Deposit date: | 2020-09-04 | | Release date: | 2020-09-23 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6NMF
 | | SFX structure of reduced cytochrome c oxidase at room temperature | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | | Deposit date: | 2019-01-10 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8UPV
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8UPW
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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7QC5
 | | Crystal structure of human wild type transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)-(3-fluoro-5-hydroxyphenyl)methanone compound | | Descriptor: | (3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone, Transthyretin | | Authors: | Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D. | | Deposit date: | 2021-11-22 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Development of a Highly Potent Transthyretin Amyloidogenesis Inhibitor: Design, Synthesis, and Evaluation.
J.Med.Chem., 65, 2022
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8FV4
 | | EGFR(T790M/V948R) in complex with compound 2 (LN5993) | | Descriptor: | Epidermal growth factor receptor, MAGNESIUM ION, N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide, ... | | Authors: | Ogboo, B.C, Beyett, T.S, Eck, M.J, Heppner, D.E. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors.
Commun Chem, 7, 2024
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8UPS
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8FV3
 | | EGFR(T790M/V948R) in complex with compound 1 (LN4503) | | Descriptor: | Epidermal growth factor receptor, MAGNESIUM ION, N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide, ... | | Authors: | Ogboo, B.C, Heppner, D.E. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors.
Commun Chem, 7, 2024
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