8F2E
 
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6ZRE
 | | Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa | | Descriptor: | Outer membrane protein OprM, PALMITIC ACID, SULFATE ION, ... | | Authors: | Ntsogo Enguene, Y.V, Monlezun, L, Ma, M, Garnier, C, Lascombe, M.B, Salem, M, Guenard, S, Plesiat, P, Llanes, C, Phan, G, Broutin, I. | | Deposit date: | 2020-07-13 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Deciphering the role of OprM constrictions in the opening mechanism of the MexAB-OprM efflux pump from Pseudomonas aeruginosa.
To Be Published
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7RVO
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI13 | | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | | Authors: | Yang, K, Sankaran, B, Liu, W. | | Deposit date: | 2021-08-19 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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6ZVR
 | | C11 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | | Descriptor: | Vipp1 | | Authors: | Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
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6ZW4
 | | C14 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | | Descriptor: | vipp1 | | Authors: | Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
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8OL6
 | | Murine type II Abeta fibril from tgAPPSwe mouse | | Descriptor: | Amyloid-beta protein 42 | | Authors: | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | | Deposit date: | 2023-03-30 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
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174L
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6UFX
 | | WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) | | Descriptor: | N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5 | | Authors: | Rietz, T.A, Fesik, S.W, Zhao, B. | | Deposit date: | 2019-09-25 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
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6ZW5
 | | C15 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | | Descriptor: | vipp1 | | Authors: | Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
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6ZVS
 | | C12 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | | Descriptor: | Vipp1 | | Authors: | Liu, J, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2022-05-04 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
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6ZVT
 | | C13 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | | Descriptor: | Vipp1 | | Authors: | Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
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6ZW6
 | | C16 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | | Descriptor: | vipp1 | | Authors: | Liu, J, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2022-05-04 | | Method: | ELECTRON MICROSCOPY (7.4 Å) | | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
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7YQB
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6ZW7
 | | C17 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | | Descriptor: | vipp1 | | Authors: | Liu, J, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (9.4 Å) | | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
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4WG1
 | | Room temperature crystal structure of lysozyme determined by serial synchrotron crystallography (micro focused beam - crystFEL) | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weimhausen, B, Sauter, N.K, Burghammer, M, Colletier, J.P. | | Deposit date: | 2014-09-17 | | Release date: | 2015-05-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
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6DYZ
 | | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3-ol | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2018-07-02 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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6LIY
 | | SeMet CRL Protein of Arabidopsis | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chromophore lyase CRL, chloroplastic | | Authors: | Wang, F.F, Guan, K.L, Sun, P.K, Xing, W.M. | | Deposit date: | 2019-12-13 | | Release date: | 2020-09-16 | | Last modified: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.761 Å) | | Cite: | The Arabidopsis CRUMPLED LEAF protein, a homolog of the cyanobacterial bilin lyase, retains the bilin-binding pocket for a yet unknown function.
Plant J., 104, 2020
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4P1L
 | | Crystal structure of a trap periplasmic solute binding protein from chromohalobacter salexigens dsm 3043 (csal_2479), target EFI-510085, with bound d-glucuronate, spg i213 | | Descriptor: | GLYCEROL, SULFATE ION, TRAP dicarboxylate transporter, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-02-26 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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8OLQ
 | | DI3 Abeta fibril from tg-SwDI mouse | | Descriptor: | Amyloid-beta protein 42 | | Authors: | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | | Deposit date: | 2023-03-30 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
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5HQO
 | | Crystal structure of IrCp*/I-Pd(allyl)-apo-rHLFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | | Authors: | Maity, B, Fukumori, K, Abe, S, Ueno, T. | | Deposit date: | 2016-01-21 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Immobilization of two organometallic complexes into a single cage to construct protein-based microcompartments
Chem.Commun.(Camb.), 52, 2016
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7RW1
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8OL2
 | | Murine type II Abeta fibril from APP23 mouse | | Descriptor: | Amyloid-beta protein 42 | | Authors: | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | | Deposit date: | 2023-03-30 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
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5XDS
 | | Crystal structure of Mycobacterium tuberculosis HisB bound with an inhibitor | | Descriptor: | (2S)-2-azanyl-3-(4H-1,2,4-triazol-3-yl)propanoic acid, CHLORIDE ION, Imidazoleglycerol-phosphate dehydratase, ... | | Authors: | Kumar, D, Jha, B, Ahangar, M.S, Kumar, B.B. | | Deposit date: | 2017-03-29 | | Release date: | 2018-04-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization of a triazole scaffold compound as an inhibitor of Mycobacterium tuberculosis imidazoleglycerol-phosphate dehydratase.
Proteins, 2021
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8OLG
 | | DI2 Abeta fibril from tg-SwDI mouse | | Descriptor: | Amyloid-beta protein 42 | | Authors: | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | | Deposit date: | 2023-03-30 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
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7RVT
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI20 | | Descriptor: | 3C-like proteinase, N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | | Authors: | Yang, K, Sankaran, B, Liu, W. | | Deposit date: | 2021-08-19 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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