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PDB: 89346 results

7NTK
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BU of 7ntk by Molmil
PALS1 PDZ1 domain with SARS-CoV-2_E PBM complex
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, Envelope small membrane protein, ...
Authors:Javorsky, A, Kvansakul, M.
Deposit date:2021-03-10
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain.
Commun Biol, 4, 2021
6YKI
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BU of 6yki by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_092
Descriptor: SULFATE ION, YTHDC1, ~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-06
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6G5Z
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BU of 6g5z by Molmil
Choline sulfatase from Ensifer (Sinorhizobium) meliloti
Descriptor: Choline-sulfatase, MAGNESIUM ION, SULFATE ION
Authors:Martinez-Rodriguez, S, Camara-Artigas, A.
Deposit date:2018-03-30
Release date:2019-04-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
6GA8
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BU of 6ga8 by Molmil
BACTERIORHODOPSIN, 330 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
7BDZ
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BU of 7bdz by Molmil
X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (1)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
Authors:Loreto, D, Merlino, A, Ferraro, G.
Deposit date:2020-12-22
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
6GAH
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BU of 6gah by Molmil
BACTERIORHODOPSIN, 680 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
7BEC
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BU of 7bec by Molmil
Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (5)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
Authors:Loreto, D, Ferraro, G, Merlino, A.
Deposit date:2020-12-23
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
6G7J
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BU of 6g7j by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 457-646 fs state structure
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
Authors:Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
Deposit date:2018-04-06
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
7BEB
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BU of 7beb by Molmil
Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (4)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
Authors:Loreto, D, Ferraro, G, Merlino, A.
Deposit date:2020-12-23
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
6RCS
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BU of 6rcs by Molmil
PfRH5-binding monoclonal antibody R5.016
Descriptor: ACETATE ION, R5.016 heavy chain, R5.016 light chain, ...
Authors:Alanine, D.W.G, Jamwal, A, Draper, S.J, Higgins, M.K.
Deposit date:2019-04-11
Release date:2019-06-26
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
8PYV
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BU of 8pyv by Molmil
Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A
Descriptor: L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, Prostaglandin E synthase
Authors:Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G.
Deposit date:2023-07-26
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
7OH5
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BU of 7oh5 by Molmil
Cryo-EM structure of Drs2p-Cdc50p in the E1-AlFx-ADP state
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
7SES
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BU of 7ses by Molmil
PRMT5/MEP50 with compound 29 bound
Descriptor: (2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A.
Deposit date:2021-10-01
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
8QZ2
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BU of 8qz2 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an inhibitory nanobody (Nb61)
Descriptor: Nanobody 61, POTASSIUM ION, Potassium channel subfamily K member 10
Authors:Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
7BE2
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BU of 7be2 by Molmil
X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (6)
Descriptor: ACETATE ION, GLYCEROL, Lysozyme, ...
Authors:Loreto, D, Merlino, A, Ferraro, G.
Deposit date:2020-12-22
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
4RW5
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BU of 4rw5 by Molmil
Structural insights into substrate binding of brown spider venom class II phospholipases D
Descriptor: GLYCEROL, MAGNESIUM ION, N-TRIDECANOIC ACID, ...
Authors:Coronado, M.A, Ullah, A, da Silva, L.S, Chaves-Moreira, D, Vuitika, L, Chaim, O.M, Veiga, S.S, Chahine, J, Murakami, M.T, Arni, R.K.
Deposit date:2014-12-01
Release date:2015-06-03
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural Insights into Substrate Binding of Brown Spider Venom Class II Phospholipases D.
Curr Protein Pept Sci, 16, 2015
5I2V
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BU of 5i2v by Molmil
NMR structure of a new G-quadruplex forming sequence within the KRAS proto-oncogene promoter region
Descriptor: DNA (5'-D(*AP*GP*GP*GP*CP*GP*GP*TP*GP*TP*GP*GP*GP*AP*AP*TP*AP*GP*GP*GP*AP*A)-3'), POTASSIUM ION
Authors:Salgado, G.F, Kerkour, A, Mergny, J.-L.
Deposit date:2016-02-09
Release date:2016-03-16
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:High-resolution three-dimensional NMR structure of the KRAS proto-oncogene promoter reveals key features of a G-quadruplex involved in transcriptional regulation.
J. Biol. Chem., 292, 2017
6RD1
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BU of 6rd1 by Molmil
Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant in complex with sialic acid
Descriptor: 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, Putative N-acetylneuraminate lyase
Authors:Owen, C.D, Bell, A, Juge, N, Walsh, M.A.
Deposit date:2019-04-12
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.
Nat Microbiol, 4, 2019
7BE1
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BU of 7be1 by Molmil
X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (3)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
Authors:Loreto, D, Merlino, A, Ferraro, G.
Deposit date:2020-12-22
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
8PZ4
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BU of 8pz4 by Molmil
Structure of alginate transporter, AlgE, solved at wavelength 2.755 A
Descriptor: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G.
Deposit date:2023-07-26
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
7BE0
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BU of 7be0 by Molmil
X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (2)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
Authors:Loreto, D, Merlino, A, Ferraro, G.
Deposit date:2020-12-22
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
7RTP
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BU of 7rtp by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with urea stabilizer 20 [1-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-3-(pyridin-3-ylmethyl)urea]
Descriptor: JTO light chain, N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-08-13
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Amyloidogenic immunoglobulin light chain kinetic stabilizers comprising a simple urea linker module reveal a novel binding sub-site.
Bioorg.Med.Chem.Lett., 60, 2022
5FZ4
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BU of 5fz4 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment (3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol (N10057a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Nowak, R, Krojer, T, Pearce, N, Talon, R, Collins, P, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-10
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10057A
To be Published
8PX5
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BU of 8px5 by Molmil
Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe., solved at wavelength 2.75 A
Descriptor: Rpb7-binding protein seb1
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Wittmann, S, Renner, M, Grimes, J.M, Wagner, A.
Deposit date:2023-07-22
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
7ZVQ
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BU of 7zvq by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, S206V mutant
Descriptor: Carotenoid-binding protein
Authors:Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
Deposit date:2022-05-17
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the carotenoid binding and transport function of a START domain.
Structure, 30, 2022

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PDB entries from 2024-10-09

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