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PDB: 89346 results

5H2P
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BU of 5h2p by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 657 us after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-10-15
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
6EYU
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BU of 6eyu by Molmil
Crystal structure of the inward H(+) pump xenorhodopsin
Descriptor: Bacteriorhodopsin, EICOSANE, RETINAL, ...
Authors:Kovalev, K, Shevchenko, V, Polovinkin, V, Mager, T, Gushchin, I, Melnikov, I, Borshchevskiy, V, Popov, A, Alekseev, A, Gordeliy, V.
Deposit date:2017-11-13
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inward H(+) pump xenorhodopsin: Mechanism and alternative optogenetic approach.
Sci Adv, 3, 2017
6PYT
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BU of 6pyt by Molmil
CryoEM Structure of Pyocin R2 - precontracted - trunk
Descriptor: Pyocin sheath PA0622, Pyocin tube PA0623
Authors:Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H.
Deposit date:2019-07-30
Release date:2020-04-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
5N0D
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BU of 5n0d by Molmil
Crystal structure of human carbonic anhydrase II in complex with (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide.
Descriptor: (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2017-02-02
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
6W0C
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BU of 6w0c by Molmil
Open-gate KcsA soaked in 4 mM BaCl2
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.556 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6Y0L
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BU of 6y0l by Molmil
Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N, R253G, S254G mutant
Descriptor: GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor membrane-bound form, SULFATE ION
Authors:Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M.
Deposit date:2020-02-09
Release date:2021-06-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
7PW0
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BU of 7pw0 by Molmil
Crystal structure of the c-Src SH3 domain N112G-N113Y-T114N-E115H mutant
Descriptor: Isoform 1 of Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A, Salinas Garcia, M.C.
Deposit date:2021-10-05
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
4Y4W
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BU of 4y4w by Molmil
Endothiapepsin in complex with fragment 125
Descriptor: 1,2-ETHANEDIOL, 4-methylpiperidine-1-carboximidamide, ACETATE ION, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
6Y1I
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BU of 6y1i by Molmil
Human Eg5 motor domain mutant R234C
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION
Authors:Garcia-Saez, I, Skoufias, D.A.
Deposit date:2020-02-12
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human Eg5 motor domain mutant R234C
To Be Published
5H2H
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BU of 5h2h by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 40 ns after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-10-15
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
6W3U
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BU of 6w3u by Molmil
APE1 exonuclease substrate complex R237C
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Freudenthal, B.D, Whitaker, A.M.
Deposit date:2020-03-09
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
7YWL
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BU of 7ywl by Molmil
Six DNA Helix Bundle nanopore - State 3
Descriptor: DNA (50-MER)
Authors:Javed, A, Ahmad, K, Lanphere, C, Coveney, P, Howorka, S, Orlova, E.V.
Deposit date:2022-02-14
Release date:2023-05-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations.
Nat Commun, 14, 2023
7YWI
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BU of 7ywi by Molmil
Six DNA duplex bundle nanopore - State 2
Descriptor: DNA (50-MER)
Authors:Javed, A, Ahmad, K, Lanphere, C, Coveney, P, Howorka, S, Orlova, E.V.
Deposit date:2022-02-14
Release date:2023-05-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations.
Nat Commun, 14, 2023
8BOE
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BU of 8boe by Molmil
Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-11-15
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 66, 2023
6SR2
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BU of 6sr2 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 37 fs time delay
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
Authors:Kloos, M, Gorel, A, Nass, K.
Deposit date:2019-09-04
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
7YWO
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BU of 7ywo by Molmil
Six DNA Helix Bundle nanopore - State 5
Descriptor: DNA (50-MER)
Authors:Javed, A, Ahmad, K, Lanphere, C, Coveney, P, Howorka, S, Orlova, E.V.
Deposit date:2022-02-14
Release date:2023-05-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations.
Nat Commun, 14, 2023
6W41
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BU of 6w41 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody CR3022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab heavy chain, CR3022 Fab light chain, ...
Authors:Yuan, M, Wu, N.C, Zhu, X.Y, Wilson, I.A.
Deposit date:2020-03-09
Release date:2020-03-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.084 Å)
Cite:A highly conserved cryptic epitope in the receptor binding domains of SARS-CoV-2 and SARS-CoV.
Science, 368, 2020
8BIQ
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BU of 8biq by Molmil
Crystal structure of acyl-COA synthetase from Metallosphaera sedula in complex with acetyl-AMP
Descriptor: 4-hydroxybutyrate--CoA ligase 1, ADENOSINE MONOPHOSPHATE, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
Authors:Capra, N, Thunnissen, A.M.W.H, Janssen, D.B.
Deposit date:2022-11-02
Release date:2023-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering
Front Catal, 4, 2024
7YWN
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BU of 7ywn by Molmil
Six DNA Helix Bundle nanopore - State 4
Descriptor: DNA (50-MER)
Authors:Javed, A, Ahmad, K, Lanphere, C, Orlova, E.V, Coveney, P, Howorka, S.
Deposit date:2022-02-14
Release date:2023-05-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations.
Nat Commun, 14, 2023
5N7M
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BU of 5n7m by Molmil
Protruding domain of GI.1 norovirus in complex with 2-fucosyllactose (2FL)
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, SODIUM ION, ...
Authors:Hansman, G.S, Koromyslova, A.D.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Human norovirus inhibition by a human milk oligosaccharide.
Virology, 508, 2017
6W5O
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BU of 6w5o by Molmil
Class D beta-lactamase BAT-2 delta mutant
Descriptor: 1,2-ETHANEDIOL, BAT-2 Beta-lactamase delta mutant, CITRATE ANION
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
8SL0
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BU of 8sl0 by Molmil
Structure of a bacterial gasdermin slinky-like oligomer
Descriptor: Gasdermin bGSDM
Authors:Johnson, A.G, Mayer, M.L, Kranzusch, P.J.
Deposit date:2023-04-20
Release date:2023-05-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and assembly of a bacterial gasdermin pore.
Nature, 628, 2024
6STB
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BU of 6stb by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, Q64W mutant
Descriptor: Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
5N6W
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BU of 5n6w by Molmil
Retinoschisin R141H Mutant
Descriptor: Retinoschisin
Authors:Ramsay, E.P, Collins, R.F, Owens, T.W, Siebert, C.A, Jones, R.P.O, Roseman, A, Wang, T, Baldock, C.
Deposit date:2017-02-16
Release date:2017-04-12
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural analysis of X-linked retinoschisis mutations reveals distinct classes which differentially effect retinoschisin function
Human Molecular Genetics, 25, 2016
6N5C
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BU of 6n5c by Molmil
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PCF2Am-InsP5
Descriptor: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Wang, H, Shears, S.B, Riley, A, Potter, B.
Deposit date:2018-11-21
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Synthesis of an alpha-phosphono-alpha , alpha-difluoroacetamide analogue of the diphosphoinositol pentakisphosphate 5-InsP7.
Medchemcomm, 10, 2019

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