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6GED
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BU of 6ged by Molmil
Adhesin domain of PrgB from Enterococcus faecalis bound to DNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(P*CP*GP*GP*GP*CP*CP*GP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*CP*GP*GP*CP*CP*CP*G)-3'), ...
Authors:Schmitt, A, Berntsson, R.P.A.
Deposit date:2018-04-26
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:PrgB promotes aggregation, biofilm formation, and conjugation through DNA binding and compaction.
Mol. Microbiol., 109, 2018
8FXS
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BU of 8fxs by Molmil
Crystal structure of human pro-TGF-beta2 in complex with Nb9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody clone 9, Transforming growth factor beta-2 proprotein
Authors:Le, V.Q, Springer, T.A.
Deposit date:2023-01-25
Release date:2023-06-21
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A specialized integrin-binding motif enables proTGF-beta 2 activation by integrin alpha V beta 6 but not alpha V beta 8.
Proc.Natl.Acad.Sci.USA, 120, 2023
6FN5
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BU of 6fn5 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-02-02
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:None
To be published
8FIZ
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BU of 8fiz by Molmil
Cryo-EM structure of E. coli 70S Ribosome containing mRNA and tRNA (in the transcription-translation complex)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Florez Ariza, A, Wee, L, Tong, A, Canari, C, Grob, P, Nogales, E, Bustamante, C.
Deposit date:2022-12-18
Release date:2023-03-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A trailing ribosome speeds up RNA polymerase at the expense of transcript fidelity via force and allostery.
Cell, 186, 2023
6G8X
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BU of 6g8x by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 4-chloranyl-1~{H}-indazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6DNC
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BU of 6dnc by Molmil
E.coli RF1 bound to E.coli 70S ribosome in response to UAU sense A-site codon
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svidritskiy, E, Demo, G, Korostelev, A.A.
Deposit date:2018-06-06
Release date:2018-07-04
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanism of premature translation termination on a sense codon.
J. Biol. Chem., 293, 2018
8GFN
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BU of 8gfn by Molmil
Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with BBH1
Descriptor: (1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-03-08
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors.
J.Biol.Chem., 299, 2023
5NTJ
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BU of 5ntj by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, beta-D-ribopyranose, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-04-28
Release date:2018-05-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
To Be Published
6DLC
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BU of 6dlc by Molmil
Designed protein DHD1:234_A, Designed protein DHD1:234_B
Descriptor: Designed protein DHD1:234_A, Designed protein DHD1:234_B
Authors:Bick, M.J, Chen, Z, Baker, D.
Deposit date:2018-05-31
Release date:2018-12-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.261 Å)
Cite:Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
6DK0
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BU of 6dk0 by Molmil
Human sigma-1 receptor bound to NE-100
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GLYCEROL, N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine, ...
Authors:Schmidt, H.R, Kruse, A.C.
Deposit date:2018-05-28
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
5O0E
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BU of 5o0e by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and Fasudil
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, RKp120, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-05-16
Release date:2018-05-30
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
2O2L
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BU of 2o2l by Molmil
Crystal structure of human heat-labile enterotoxin in complex with a blood group A antigen analog
Descriptor: Heat-labile enterotoxin B chain, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]beta-D-glucopyranose
Authors:Holmner, A, Askarieh, G, Okvist, M, Krengel, U.
Deposit date:2006-11-30
Release date:2007-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Blood Group Antigen Recognition by Escherichia coli Heat-labile Enterotoxin
J.Mol.Biol., 371, 2007
8GIF
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BU of 8gif by Molmil
Crystal structure of a designed single-component Plasmodium falciparum AMA1-RON2L insertion fusion immunogen 3
Descriptor: Apical membrane antigen 1, rhoptry neck protein 2 chimera
Authors:Patel, P.N, Tolia, N.H.
Deposit date:2023-03-14
Release date:2023-08-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of a strain transcending AMA1-RON2L malaria vaccine.
Nat Commun, 14, 2023
8GID
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BU of 8gid by Molmil
Crystal structure of a strain-transcending single-component Plasmodium falciparum AMA1-RON2L structure-based design immunogen 1 (SBD1)
Descriptor: Apical membrane antigen 1, rhoptry neck protein 2 chimera
Authors:Patel, P.N, Tolia, N.H.
Deposit date:2023-03-14
Release date:2023-08-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of a strain transcending AMA1-RON2L malaria vaccine.
Nat Commun, 14, 2023
8GIE
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BU of 8gie by Molmil
Crystal structure of a designed single-component Plasmodium falciparum AMA1-RON2L insertion fusion immunogen 2
Descriptor: Apical membrane antigen 1, rhoptry neck protein 2 chimera
Authors:Patel, P.N, Tolia, N.H.
Deposit date:2023-03-14
Release date:2023-08-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based design of a strain transcending AMA1-RON2L malaria vaccine.
Nat Commun, 14, 2023
6DWW
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BU of 6dww by Molmil
Hermes transposase deletion dimer complex with (A/T) DNA and Mn2+
Descriptor: DNA (25-MER), DNA (5'-D(*AP*GP*AP*GP*AP*AP*CP*AP*AP*CP*AP*AP*CP*AP*AP*G)-3'), DNA (5'-D(*GP*CP*GP*TP*GP*AP*A)-3'), ...
Authors:Dyda, F, Voth, A.R, Hickman, A.B.
Deposit date:2018-06-28
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:Structural insights into the mechanism of double strand break formation by Hermes, a hAT family eukaryotic DNA transposase.
Nucleic Acids Res., 46, 2018
6FLV
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BU of 6flv by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-01-29
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:None
To be published
8GIS
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BU of 8gis by Molmil
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.5mM Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-03-14
Release date:2024-04-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
8GIR
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BU of 8gir by Molmil
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.2mM Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-03-14
Release date:2024-04-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
6FSD
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BU of 6fsd by Molmil
Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10)
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, ...
Authors:Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A.
Deposit date:2018-02-19
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J.Med.Chem., 61, 2018
8GIO
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BU of 8gio by Molmil
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.1mM Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-03-14
Release date:2024-04-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
8GIT
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BU of 8git by Molmil
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 1mM Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-03-14
Release date:2024-04-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
8G23
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BU of 8g23 by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound pppIpA
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-02-03
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
8GIM
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BU of 8gim by Molmil
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-03-14
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
6GAP
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BU of 6gap by Molmil
Crystal structure of the T3D reovirus sigma1 coiled coil tail and body
Descriptor: Outer capsid protein sigma-1
Authors:Dietrich, M.H, Stehle, T.
Deposit date:2018-04-11
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Functional Features of the Reovirus sigma 1 Tail.
J. Virol., 92, 2018

224004

数据于2024-08-21公开中

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