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7RQ9
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Crystal structure of the A2058-dimethylated Thermus thermophilus 70S ribosome in complex with iboxamycin, mRNA, deacylated A- and E-site tRNAs, and aminoacylated P-site tRNA at 2.60A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Mitcheltree, M.J, Pisipati, A, Syroegin, E.A, Silvestre, K.J, Klepacki, D, Mason, J.D, Terwilliger, D.W, Testolin, G, Pote, A.R, Wu, K.J.Y, Ladley, R.P, Chatman, K, Mankin, A.S, Polikanov, Y.S, Myers, A.G.
Deposit date:2021-08-06
Release date:2021-10-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A synthetic antibiotic class overcoming bacterial multidrug resistance.
Nature, 599, 2021
7RQ5
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Hairpin near 3'-Splice Site of Influenza A Segment 7 Bound to 5-nt Oligonucleotide
Descriptor: RNA (5'-D(*(MU5)P*(MLC)P*(MRC))-R(P*(LG)P*(MU3))-3'), RNA (5'-R(*AP*UP*CP*CP*AP*GP*AP*AP*AP*CP*GP*GP*AP*UP*GP*GP*AP*UP*A)-3')
Authors:Kauffmann, A.D, Kennedy, S.D, Turner, D.H.
Deposit date:2021-08-05
Release date:2022-01-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance reveals a two hairpin equilibrium near the 3'-splice site of influenza A segment 7 mRNA that can be shifted by oligonucleotides.
Rna, 28, 2022
7QCO
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BU of 7qco by Molmil
The structure of Photosystem I tetramer from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, CHLOROPHYLL A, ...
Authors:Semchonok, D.A, Mondal, J, Cooper, J.C, Schlum, K, Li, M, Amin, M, Sorzano, C.O.S, Ramirez-Aportela, E, Kastritis, P.L, Boekema, E.J, Guskov, A, Bruce, B.D.
Deposit date:2021-11-24
Release date:2022-04-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of a tetrameric photosystem I from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium.
Plant Commun., 3, 2022
7QNE
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BU of 7qne by Molmil
Cryo-EM structure of human full-length synaptic alpha1beta3gamma2 GABA(A)R in complex with Ro15-4513 and megabody Mb38
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
Deposit date:2021-12-20
Release date:2022-04-13
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
5MEI
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BU of 5mei by Molmil
Crystal structure of Agelastatin A bound to the 80S ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:McClary, B, Zinshteyn, B, Meyer, M, Jouanneau, M, Pellegrino, S, Yusupova, G, Schuller, A, Reyes, J.C.P, Lu, J, Luo, C, Dang, Y, Romo, D, Yusupov, M, Green, R, Liu, J.O.
Deposit date:2016-11-15
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
7OLX
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MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group
Descriptor: CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
Authors:Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
Deposit date:2021-05-20
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
8FC6
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BU of 8fc6 by Molmil
Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and telithromycin at 2.35A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S.
Deposit date:2022-12-01
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
7OLS
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BU of 7ols by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group
Descriptor: 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
Deposit date:2021-05-20
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
8FC3
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BU of 8fc3 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and telithromycin at 2.60A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
7OLV
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BU of 7olv by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group
Descriptor: 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
Deposit date:2021-05-20
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
8FC2
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BU of 8fc2 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and azithromycin at 2.50A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
8FC5
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BU of 8fc5 by Molmil
Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and azithromycin at 2.65A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S.
Deposit date:2022-12-01
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
6XCL
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BU of 6xcl by Molmil
Crystal Structure of human telomeric DNA G-quadruplex in complex with a novel platinum(II) complex.
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION, ...
Authors:Miron, C.E, van Staalduinen, L.M, Jia, Z, Petitjean, A.
Deposit date:2020-06-08
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Going Platinum to the Tune of a Remarkable Guanine Quadruplex Binder: Solution- and Solid-State Investigations.
Angew.Chem.Int.Ed.Engl., 60, 2021
8FYN
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BU of 8fyn by Molmil
MicroED structure of A2A from plasma milled lamellae
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T.
Deposit date:2023-01-26
Release date:2023-03-08
Last modified:2023-03-22
Method:ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite:A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
7AW2
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BU of 7aw2 by Molmil
MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library
Descriptor: 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer
Authors:Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
7AW1
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BU of 7aw1 by Molmil
MerTK kinase domain in complex with a type 2 inhibitor
Descriptor: N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer
Authors:Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
6YUS
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BU of 6yus by Molmil
Capsule O-acetyltransferase of Neisseria meningitidis serogroup A H228A mutant in complex with CoA
Descriptor: 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
Authors:Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M.
Deposit date:2020-04-27
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A.
Nat Commun, 11, 2020
6ZNU
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BU of 6znu by Molmil
MaeB PTA domain E544R mutant
Descriptor: ACETYL COENZYME *A, CHLORIDE ION, Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
6ZNT
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BU of 6znt by Molmil
MaeB PTA domain, acetyl-CoA bound form
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, DI(HYDROXYETHYL)ETHER, ...
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
8PJE
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BU of 8pje by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAT
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Hesketh, S.J, Cole, D.K, Rizkallah, P.J, Godkin, A.J.
Deposit date:2023-06-23
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation.
Cell Rep, 43, 2024
8PJF
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BU of 8pjf by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting P11T->R modified influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAR
Descriptor: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Cole, D.K, Rizkallah, P.J, Godkin, A.J.
Deposit date:2023-06-23
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation.
Cell Rep, 43, 2024
8PJG
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BU of 8pjg by Molmil
F11 TCR in complex with Human Leukocyte Antigen class II allotype DR1 presenting P11T->R modified influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAR
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Cole, D.K, Rizkallah, P.J, Godkin, A.J.
Deposit date:2023-06-23
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation.
Cell Rep, 43, 2024
6ZVJ
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BU of 6zvj by Molmil
Structure of a human ABCE1-bound 43S pre-initiation complex - State II
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Kratzat, H, Mackens-Kiani, T, Ameismeier, A, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-24
Release date:2020-10-07
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A structural inventory of native ribosomal ABCE1-43S pre-initiation complexes.
Embo J., 40, 2021
7A09
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BU of 7a09 by Molmil
Structure of a human ABCE1-bound 43S pre-initiation complex - State III
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Kratzat, H, Mackens-Kiani, T, Ameismeier, A, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-08-07
Release date:2020-10-14
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A structural inventory of native ribosomal ABCE1-43S pre-initiation complexes.
Embo J., 40, 2021
6OCB
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BU of 6ocb by Molmil
Crystal structure of FluA-20 Fab in complex with the head domain of H3 (A/Hong Kong/1/1968)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of FluA-20 Fab, Hemagglutinin, ...
Authors:Wilson, I.A, Lang, S.
Deposit date:2019-03-22
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Site of Vulnerability on the Influenza Virus Hemagglutinin Head Domain Trimer Interface.
Cell, 177, 2019

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