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8AQ9
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BU of 8aq9 by Molmil
Domain 2 of zinc-loaded Caenorhabditis elegans MTL-1
Descriptor: Metallothionein-1, ZINC ION
Authors:Leszczyszyn, O.I, Sturzenbaum, S.R, Blindauer, C.A.
Deposit date:2022-08-11
Release date:2024-01-17
Method:SOLUTION NMR
Cite:Juggling cadmium detoxification and zinc homeostasis: A division of labour between the two C. elegans metallothioneins.
Chemosphere, 350, 2023
6T3D
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BU of 6t3d by Molmil
Crystal structure of AmpC from E.coli
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
Deposit date:2019-10-10
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
3NBT
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BU of 3nbt by Molmil
Crystal structure of trimeric cytochrome c from horse heart
Descriptor: Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ...
Authors:Taketa, M, Komori, H, Hirota, S, Higuchi, Y.
Deposit date:2010-06-04
Release date:2010-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cytochrome c polymerization by successive domain swapping at the C-terminal helix
Proc.Natl.Acad.Sci.USA, 107, 2010
6VVG
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BU of 6vvg by Molmil
Structure of the Cydia pomonella Granulovirus kinase, PK-1
Descriptor: ADENOSINE MONOPHOSPHATE, Arginine kinase
Authors:Oliver, M.R, Horne, C.R, Keown, J.R, Murphy, J.M, Metcalf, P.
Deposit date:2020-02-17
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Granulovirus PK-1 kinase activity relies on a side-to-side dimerization mode centered on the regulatory alpha C helix.
Nat Commun, 12, 2021
6TKK
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BU of 6tkk by Molmil
Neuropilin 1-b1 domain in a complex with the C-terminal VEGFB186 peptide
Descriptor: 1,2-ETHANEDIOL, ACE-ARG-PRO-GLN-PRO-ARG, Neuropilin-1
Authors:Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S.
Deposit date:2019-11-28
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Neuropilin 1-b1 domain in a complex with the C-terminal VEGFB186 peptide
To Be Published
7ZXY
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BU of 7zxy by Molmil
3.15 Angstrom cryo-EM structure of the dimeric cytochrome b6f complex from Synechocystis sp. PCC 6803 with natively bound plastoquinone and lipid molecules.
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, CHLOROPHYLL A, Cytochrome B6, ...
Authors:Malone, L.A, Procter, M.S, Farmer, D.F, Swainsbury, D.J.K, Hawkings, F.R, Pastorelli, F, Emrich-Mills, T.Z, Siebert, A, Hunter, C.N, Hitchcock, A, Johnson, M.P.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Cryo-EM structures of the Synechocystis sp. PCC 6803 cytochrome b6f complex with and without the regulatory PetP subunit.
Biochem.J., 479, 2022
6I49
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BU of 6i49 by Molmil
Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4(morpholinomethyl)phenyl)ethynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)yl)butanamide
Descriptor: (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
Deposit date:2018-11-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6MYD
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BU of 6myd by Molmil
Structure of zebrafish TRAF6 in complex with STING CTT
Descriptor: STING CTT, Transmembrane protein 173, SULFATE ION, ...
Authors:de Oliveira Mann, C.C, Orzalli, M.H, King, D.S, Kagan, J.C, Lee, A.S.Y, Kranzusch, P.J.
Deposit date:2018-11-01
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Modular Architecture of the STING C-Terminal Tail Allows Interferon and NF-kappa B Signaling Adaptation.
Cell Rep, 27, 2019
6KKO
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BU of 6kko by Molmil
The crystal structure of SiaB-SiaC complex from Pseudomonas aeruginosa
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DUF1987 domain-containing protein, Putative serine phosphatase, ...
Authors:Gan, J.H, Yang, C.
Deposit date:2019-07-26
Release date:2020-06-10
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:The SiaA/B/C/D signaling network regulates biofilm formation in Pseudomonas aeruginosa.
Embo J., 39, 2020
8H28
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BU of 8h28 by Molmil
Crystal structure of the K87V mutant of cytochrome c' from Shewanella benthica DB6705
Descriptor: Class II cytochrome c, HEME C
Authors:Fujii, S, Sakaguchi, R, Oki, H, Kawahara, K, Ohkubo, T, Fujiyoshi, S, Sambongi, Y.
Deposit date:2022-10-05
Release date:2023-10-11
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Contribution of a surface salt bridge to the protein stability of deep-sea Shewanella benthica cytochrome c'.
J.Struct.Biol., 215, 2023
5HRV
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BU of 5hrv by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Descriptor: 1,2-ETHANEDIOL, 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
Authors:Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S.
Deposit date:2016-01-24
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
7RXL
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BU of 7rxl by Molmil
Fab1488 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab1488 heavy chain, Fab1488 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.823 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7RXJ
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BU of 7rxj by Molmil
Fab236 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab236 heavy chain, Fab236 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.345 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7S0X
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BU of 7s0x by Molmil
Fab352 in complex with the C-terminal alphaTSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab352 heavy chain, Fab352 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-31
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
6EI2
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BU of 6ei2 by Molmil
Crystal Structure of HLA-A68 presenting a C-terminally extended peptide
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CADMIUM ION, ...
Authors:Picaud, S, Guillaume, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gfeller, D, Filippakopoulos, P.
Deposit date:2017-09-16
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of HLA-A68 presenting a C-terminally extended peptide
To Be Published
5MPT
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BU of 5mpt by Molmil
Structure of the citrinin polyketide synthase CMeT domain
Descriptor: 1,2-ETHANEDIOL, Citrinin polyketide synthase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Herbst, D.A, Storm, P.A, Townsend, C.A, Maier, T.
Deposit date:2016-12-19
Release date:2017-02-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Functional and Structural Analysis of Programmed C-Methylation in the Biosynthesis of the Fungal Polyketide Citrinin.
Cell Chem Biol, 24, 2017
5IWY
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BU of 5iwy by Molmil
Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Bacillus subtitis complexed with CMP and Mg2+
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION
Authors:Liu, Z.C, Jin, Y, Wang, G.G.
Deposit date:2016-03-23
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of IspF from Bacillus subtilis and absence of protein complex assembly among IspD/IspE/IspF enzymes in the MEP pathway.
Biosci. Rep., 2018
5MRD
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BU of 5mrd by Molmil
Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M.
Deposit date:2016-12-22
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
ACS Chem. Biol., 12, 2017
5CID
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BU of 5cid by Molmil
Complex of yeast cytochrome c peroxidase (W191G) bound to o-toluidine with iso-1 cytochrome c
Descriptor: 2-methylaniline, Cytochrome c iso-1, Cytochrome c peroxidase, ...
Authors:Crane, B.R, Payne, T.M.
Deposit date:2015-07-12
Release date:2016-08-03
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (2.763 Å)
Cite:Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
7SAG
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BU of 7sag by Molmil
Solution NMR structure of barrettide C
Descriptor: Barrettide C
Authors:Payne, C.D, Rosengren, K.J.
Deposit date:2021-09-22
Release date:2022-01-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Barrettides: A Peptide Family Specifically Produced by the Deep-Sea Sponge Geodia barretti .
J.Nat.Prod., 84, 2021
4XU0
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BU of 4xu0 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 73 that has a 2'-methyl on the ribose
Descriptor: 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.60000169 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
5CIC
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BU of 5cic by Molmil
Complex of yeast cytochrome c peroxidase (W191G) bound to 3-aminobenzotrifluoride with iso-1 cytochrome c
Descriptor: 3-(trifluoromethyl)aniline, Cytochrome c iso-1, Cytochrome c peroxidase, ...
Authors:Crane, B.R, Payne, T.M.
Deposit date:2015-07-11
Release date:2016-08-03
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
5CIH
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BU of 5cih by Molmil
Complex of yeast cytochrome c peroxidase (W191Y) with iso-1 cytochrome c
Descriptor: Cytochrome c iso-1, Cytochrome c peroxidase, mitochondrial, ...
Authors:Crane, B.R, Payne, T.M.
Deposit date:2015-07-12
Release date:2016-08-03
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
5XJZ
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BU of 5xjz by Molmil
Structure of DNA1-Ag complex
Descriptor: DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE
Authors:Liu, H.H, Gan, J.H.
Deposit date:2017-05-04
Release date:2017-12-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
7TFS
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BU of 7tfs by Molmil
Cryo-EM of the OmcE nanowires from Geobacter sulfurreducens
Descriptor: Cytochrome c, HEME C
Authors:Wang, F, Mustafa, K, Chan, C.H, Joshi, K, Hochbaum, A.I, Bond, D.R, Egelman, E.H.
Deposit date:2022-01-07
Release date:2022-05-04
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of an extracellular Geobacter OmcE cytochrome filament reveals tetrahaem packing.
Nat Microbiol, 7, 2022

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數據於2024-08-14公開中

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