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PDB: 89346 results

6RB9
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The pore structure of Clostridium perfringens epsilon toxin
Descriptor: Epsilon-toxin type B
Authors:Savva, C.G, Clark, A.R, Naylor, C.E, Popoff, M.R, Moss, D.S, Basak, A.K, Titball, R.W, Bokori-Brown, M.
Deposit date:2019-04-09
Release date:2019-06-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The pore structure of Clostridium perfringens epsilon toxin.
Nat Commun, 10, 2019
7A97
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BU of 7a97 by Molmil
SARS-CoV-2 Spike Glycoprotein with 2 ACE2 Bound
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
Deposit date:2020-09-01
Release date:2020-09-16
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
3LIY
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crystal structure of HTLV protease complexed with Statine-containing peptide inhibitor
Descriptor: DI(HYDROXYETHYL)ETHER, Protease, statine-containing inhibitor
Authors:Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
Deposit date:2010-01-25
Release date:2010-07-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LIQ
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Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673
Descriptor: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide, Protease
Authors:Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
Deposit date:2010-01-25
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LJG
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BU of 3ljg by Molmil
Human MMP12 in complex with non-zinc chelating inhibitor
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ...
Authors:Stura, E.A, Dive, V, Devel, L, Vera, L, Beau, F.
Deposit date:2010-01-26
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.313 Å)
Cite:Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation.
J.Biol.Chem., 285, 2010
5EZE
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BU of 5eze by Molmil
A de novo designed heptameric coiled coil CC-Hept-I18betaMeCys-L22H-I25E
Descriptor: CC-Hept-bMeCys-His-Glu, GLYCEROL
Authors:Burton, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2015-11-26
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Installing hydrolytic activity into a completely de novo protein framework.
Nat.Chem., 8, 2016
6XYO
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Multiple system atrophy Type I alpha-synuclein filament
Descriptor: Alpha-synuclein
Authors:Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M.
Deposit date:2020-01-30
Release date:2020-02-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of alpha-synuclein filaments from multiple system atrophy.
Nature, 585, 2020
5I3W
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BU of 5i3w by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene inhibitor 2
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2016-02-11
Release date:2016-03-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
3LKQ
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BU of 3lkq by Molmil
Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1977 strain
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
Authors:Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K.
Deposit date:2010-01-27
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses.
Proc.Natl.Acad.Sci.USA, 107, 2010
8E25
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BU of 8e25 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease M49I mutant in complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab
Authors:Noske, G.D, Godoy, A.S, Oliva, G.
Deposit date:2022-08-14
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
5F0A
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BU of 5f0a by Molmil
CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine INHIBITOR
Descriptor: 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, cGMP-dependent protein kinase, putative
Authors:Walker, J.R, Wernimont, A.K, He, H, Seitova, A, Loppnau, P, Sibley, L.D, Graslund, S, Hutchinson, A, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Hui, R, El Bakkouri, M, Structural Genomics Consortium (SGC)
Deposit date:2015-11-27
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND INHIBITOR
To be published
6I4P
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BU of 6i4p by Molmil
Crystal structure of the disease-causing G194C mutant of the human dihydrolipoamide dehydrogenase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
Authors:Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2018-11-10
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
8DVR
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BU of 8dvr by Molmil
Cryo-EM structure of RIG-I bound to the end of p3SLR30 (+AMPPNP)
Descriptor: Antiviral innate immune response receptor RIG-I, GUANOSINE-5'-TRIPHOSPHATE, ZINC ION, ...
Authors:Wang, W, Pyle, A.M.
Deposit date:2022-07-29
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The RIG-I receptor adopts two different conformations for distinguishing host from viral RNA ligands.
Mol.Cell, 82, 2022
7QV0
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BU of 7qv0 by Molmil
Covalent complex between Scalindua brodae amxFabZ and amxACP
Descriptor: Acyl carrier protein, Beta-hydroxyacyl-(Acyl-carrier-protein) dehydratase, S-[2-[3-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (Z)-hex-2-enethioate
Authors:Barends, T, Dietl, A.
Deposit date:2022-01-19
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structures of an unusual 3-hydroxyacyl dehydratase (FabZ) from a ladderane-producing organism with an unexpected substrate preference.
J.Biol.Chem., 299, 2023
3LN2
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Crystal Structure of a Charge Engineered Human Lysozyme Variant
Descriptor: Lysozyme C
Authors:Gill, A, Scanlon, T.C, Griswold, K.E.
Deposit date:2010-02-01
Release date:2011-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.037 Å)
Cite:Crystal structure of a charge engineered human lysozyme having enhanced bactericidal activity.
Plos One, 6, 2011
4XIW
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BU of 4xiw by Molmil
Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, alpha type, ...
Authors:Hainzl, T, Grundstrom, C, Benlloch, R, Shevela, D, Shutova, T, Messinger, J, Samuelsson, G, Sauer-Eriksson, A.E.
Deposit date:2015-01-07
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii.
Plant Physiol., 167, 2015
3L9A
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BU of 3l9a by Molmil
Structure of the C-terminal domain from a Streptococcus mutans hypothetical
Descriptor: GLYCEROL, SODIUM ION, uncharacterized protein
Authors:Singer, A.U, Cuff, M.E, Xu, X, Cui, H, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-01-04
Release date:2010-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of the C-terminal domain from a Streptococcus mutans hypothetical
To be Published
6XHU
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BU of 6xhu by Molmil
Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design
Descriptor: 3C-like proteinase
Authors:Kneller, D.W, Coates, L, Kovalevsky, A.
Deposit date:2020-06-19
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
5I6N
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BU of 5i6n by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 11.73 MGy
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ...
Authors:Horrell, S, Hough, M.A, Strange, R.W.
Deposit date:2016-02-16
Release date:2016-07-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
8JER
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BU of 8jer by Molmil
Structure of Acipimox-GPR109A-G protein complex
Descriptor: 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2023-05-16
Release date:2024-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
6E33
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Crystal Structure of Pho7-DNA complex
Descriptor: DNA (5'-D(*GP*AP*TP*TP*TP*GP*AP*AP*TP*GP*TP*CP*CP*GP*AP*AP*GP*GP*AP*T)-3'), DNA (5'-D(*TP*CP*CP*TP*TP*CP*GP*GP*AP*CP*AP*TP*TP*CP*AP*AP*AP*TP*CP*A)-3'), Uncharacterized transcriptional regulatory protein C27B12.11c, ...
Authors:Garg, A, Goldgur, Y, Shuman, S.
Deposit date:2018-07-13
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:Distinctive structural basis for DNA recognition by the fission yeast Zn2Cys6 transcription factor Pho7 and its role in phosphate homeostasis.
Nucleic Acids Res., 46, 2018
5F5V
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BU of 5f5v by Molmil
Crystal structure of the Snu23-Prp38-MFAP1(217-296) complex of Chaetomium thermophilum
Descriptor: Prp38, Putative uncharacterized protein, Zinc finger domain-containing protein
Authors:Ulrich, A.K.C, Seeger, M, Bartlick, N, Wahl, M.C.
Deposit date:2015-12-04
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Scaffolding in the Spliceosome via Single alpha Helices.
Structure, 24, 2016
4ENJ
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BU of 4enj by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-hydroxyethylguanine
Descriptor: Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*GP*(EHG)P*CP*TP*AP*GP*TP*A)-3')
Authors:Tubbs, J.L, Arvai, A.S, Tainer, J.A.
Deposit date:2012-04-13
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.0989 Å)
Cite:Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
5EW3
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BU of 5ew3 by Molmil
Human Vascular Endothelial Growth Factor Receptor 2 (KDR) Kinase Domain in complex with AAL993
Descriptor: 2-(pyridin-4-ylmethylamino)-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Vascular endothelial growth factor receptor 2
Authors:Stark, W, Goepfert, A.
Deposit date:2015-11-20
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Novel Potent Oral Series of VEGFR2 Inhibitors Abrogate Tumor Growth by Inhibiting Angiogenesis.
J.Med.Chem., 59, 2016
8DVS
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BU of 8dvs by Molmil
Cryo-EM structure of RIG-I bound to the end of OHSLR30 (+ATP)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Antiviral innate immune response receptor RIG-I, MAGNESIUM ION, ...
Authors:Wang, W, Pyle, A.M.
Deposit date:2022-07-29
Release date:2022-11-16
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The RIG-I receptor adopts two different conformations for distinguishing host from viral RNA ligands.
Mol.Cell, 82, 2022

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