7GLP
 
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ADA-UCB-6c2cb422-1 (Mpro-P2005) | | Descriptor: | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GKW
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-e6dd326d-6 (Mpro-P1200) | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.911 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GM7
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-a577c8a2-1 (Mpro-P2099) | | Descriptor: | (4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.844 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GLE
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-5cd9ea36-13 (Mpro-P1889) | | Descriptor: | (4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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8G8W
 | | Molecular mechanism of nucleotide inhibition of human uncoupling protein 1 | | Descriptor: | CARDIOLIPIN, GUANOSINE-5'-TRIPHOSPHATE, Mitochondrial brown fat uncoupling protein 1, ... | | Authors: | Gogoi, P, Jones, S.A, Ruprecht, J.J, King, M.S, Lee, Y, Zogg, T, Pardon, E, Chand, D, Steimle, S, Copeman, D, Cotrim, C.A, Steyaert, J, Crichton, P.G, Moiseenkova-Bell, V, Kunji, E.R.S. | | Deposit date: | 2023-02-20 | | Release date: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis of purine nucleotide inhibition of human uncoupling protein 1.
Sci Adv, 9, 2023
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5H9E
 | | Crystal structure of E. coli Cascade bound to a PAM-containing dsDNA target (32-nt spacer) at 3.20 angstrom resolution. | | Descriptor: | CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ... | | Authors: | Hayes, R.P, Xiao, Y, Ding, F, van Erp, P.B.G, Rajashankar, K, Bailey, S, Wiedenheft, B, Ke, A. | | Deposit date: | 2015-12-28 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Structural basis for promiscuous PAM recognition in type I-E Cascade from E. coli.
Nature, 530, 2016
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7A18
 | | 50S Deinococcus radiodurans ribosome bounded with mycinamicin IV | | Descriptor: | 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L15, ... | | Authors: | Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A. | | Deposit date: | 2020-08-12 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Nucleic Acids Res., 49, 2021
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7UTJ
 | | Cryogenic electron microscopy 3D map of F-actin bound by human dimeric alpha-catenin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Rangarajan, E.S, Smith, E.W, Izard, T. | | Deposit date: | 2022-04-27 | | Release date: | 2023-03-08 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Distinct inter-domain interactions of dimeric versus monomeric alpha-catenin link cell junctions to filaments.
Commun Biol, 6, 2023
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8GUV
 | | LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7) | | Descriptor: | CALCIUM ION, PA-I galactophilic lectin, Tolcapone | | Authors: | Kuhaudomlarp, S, Siebs, E, Varrot, A, Imberty, A, Titz, A. | | Deposit date: | 2022-09-13 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7)
To Be Published
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8G7J
 | | mtHsp60 V72I apo | | Descriptor: | 60 kDa heat shock protein, mitochondrial | | Authors: | Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. | | Deposit date: | 2023-02-16 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
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8G7K
 | | mtHsp60 V72I apo focus | | Descriptor: | 60 kDa heat shock protein, mitochondrial | | Authors: | Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. | | Deposit date: | 2023-02-16 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
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7ULA
 | | Structure of the Pseudomonas putida AlgKX modification and secretion complex | | Descriptor: | Alginate biosynthesis protein AlgK, Alginate biosynthesis protein AlgX, CHLORIDE ION, ... | | Authors: | Gheorghita, A.A, Li, E.Y, Pfoh, R, Howell, P.L. | | Deposit date: | 2022-04-04 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure of the AlgKX modification and secretion complex required for alginate production and biofilm attachment in Pseudomonas aeruginosa.
Nat Commun, 13, 2022
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8GAK
 | | Crystal Structure of E. coli LptA in complex with Chinavia Ubica Thanatin | | Descriptor: | Lipopolysaccharide export system protein LptA, Thanatin | | Authors: | Huynh, K, Kibrom, A, Donald, B, Zhou, P. | | Deposit date: | 2023-02-23 | | Release date: | 2023-07-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from Chinavia ubica and Murgantia histrionica targeting E. coli LptA.
J Struct Biol X, 8, 2023
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7GB8
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-14 (Mpro-x10247) | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.957 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GBA
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ANT-OPE-d972fbad-1 (Mpro-x10296) | | Descriptor: | 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GBK
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-95b75b4d-2 (Mpro-x10359) | | Descriptor: | 2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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8OLD
 | | Crystal structure of Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains, CACODYLATE ION, ... | | Authors: | Manakova, E.N, Zaremba, M, Grazulis, S. | | Deposit date: | 2023-03-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
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5H7U
 | | NMR structure of eIF3 36-163 | | Descriptor: | Eukaryotic translation initiation factor 3 subunit C | | Authors: | Nagata, T, Obayashi, E. | | Deposit date: | 2016-11-21 | | Release date: | 2017-05-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Molecular Landscape of the Ribosome Pre-initiation Complex during mRNA Scanning: Structural Role for eIF3c and Its Control by eIF5.
Cell Rep, 18, 2017
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8OK9
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7UUL
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with kanamycin B and coenzyme A | | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, ... | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-04-28 | | Release date: | 2022-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024
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5LY1
 | | JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer) | | Descriptor: | CHLORIDE ION, CP2, GLYCEROL, ... | | Authors: | King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J. | | Deposit date: | 2016-09-23 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
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6V8U
 | | Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a modified Kaiso binding sequence (KBS) | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*CP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*GP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ... | | Authors: | Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E. | | Deposit date: | 2019-12-12 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | A Conformational Switch in the Zinc Finger Protein Kaiso Mediates Differential Readout of Specific and Methylated DNA Sequences.
Biochemistry, 59, 2020
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7UPL
 | | SARS-Cov2 Omicron varient S protein structure in complex with neutralizing monoclonal antibody 002-S21F2 | | 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: | Patel, A, Ortlund, E. | | Deposit date: | 2022-04-15 | | Release date: | 2022-08-10 | | Last modified: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insights for neutralization of Omicron variants BA.1, BA.2, BA.4, and BA.5 by a broadly neutralizing SARS-CoV-2 antibody.
Sci Adv, 8, 2022
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7GHF
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BAR-COM-4e090d3a-47 (Mpro-x3305) | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GE0
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-6af13d92-2 (Mpro-x11276) | | Descriptor: | 3C-like proteinase, 5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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