7QOD
 
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6WCH
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6WKU
 | | Twelve Chloride Ions Drive Assembly of Human alpha345 Collagen IV NC1 domain | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ... | | Authors: | Boudko, S.P, Hudson, B.G. | | Deposit date: | 2020-04-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Collagen IV alpha 345 dysfunction in glomerular basement membrane diseases. II. Crystal structure of the alpha 345 hexamer.
J.Biol.Chem., 296, 2021
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6WHO
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WHN
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WHQ
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WHZ
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WI3
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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7Q5C
 | | Crystal structure of OmpG in space group 96 | | Descriptor: | Outer membrane porin G, SODIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Nguyen, T.T.M, Khan, A.R, Barringer, R, McManus, J.J, Race, P.R. | | Deposit date: | 2021-11-03 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.717 Å) | | Cite: | Experimental phase diagrams to optimise OmpG
To Be Published
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7QLJ
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3A3Y
 | | Crystal structure of the sodium-potassium pump with bound potassium and ouabain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, MAGNESIUM ION, ... | | Authors: | Ogawa, H, Shinoda, T, Cornelius, F, Toyoshima, C. | | Deposit date: | 2009-06-23 | | Release date: | 2009-09-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the sodium-potassium pump (Na+,K+-ATPase) with bound potassium and ouabain.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3WDY
 | | The complex structure of E113A with cellotetraose | | Descriptor: | Beta-1,3-1,4-glucanase, SULFATE ION, beta-D-glucopyranose, ... | | Authors: | Cheng, Y.S, Huang, C.H, Chen, C.C, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T. | | Deposit date: | 2013-06-25 | | Release date: | 2014-07-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural and mutagenetic analyses of a 1,3-1,4-beta-glucanase from Paecilomyces thermophila
Biochim.Biophys.Acta, 1844, 2014
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7QI3
 | | Structure of Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase | | Descriptor: | 1,2-ETHANEDIOL, Arylamine N-acetyltransferase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lowe, E.D, Kotomina, E, Karagianni, E, Boukouvala, S. | | Deposit date: | 2021-12-14 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase is structurally, functionally and phylogenetically distinct from its N-acetyltransferase (NAT) homologues.
Febs J., 290, 2023
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6XG7
 | | 1.3 A Resolution Structure of the of the NHL Repeat Region of D. melanogaster Thin | | Descriptor: | SULFATE ION, TETRAETHYLENE GLYCOL, Thin, ... | | Authors: | Kashipathy, M.M, Lovell, S, Battaile, K.P, Bawa, S, Geisbrecht, E.R. | | Deposit date: | 2020-06-17 | | Release date: | 2020-12-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Costameric integrin and sarcoglycan protein levels are altered in a Drosophila model for Limb-girdle muscular dystrophy type 2H.
Mol.Biol.Cell, 32, 2021
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7QJR
 | | Crystal structure of cutinase 1 from Thermobifida fusca DSM44342 (703) | | Descriptor: | Cutinase 1, TETRAETHYLENE GLYCOL | | Authors: | Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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7QJT
 | | Crystal structure of a cutinase enzyme from Thermobifida cellulosilytica TB100 (711) | | Descriptor: | GLYCEROL, MAGNESIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Zahn, M, Shakespeare, T.J, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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7QKB
 | | Crystal structure of human Cathepsin L in complex with covalently bound GC376 | | Descriptor: | CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7QJP
 | | Crystal structure of a cutinase enzyme from Saccharopolyspora flava (611) | | Descriptor: | Cutinase, TETRAETHYLENE GLYCOL | | Authors: | Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.561 Å) | | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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7QJS
 | | Crystal structure of a cutinase enzyme from Thermobifida fusca YX (705) | | Descriptor: | Cutinase 2, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Zahn, M, Shakespeare, T.J, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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7QOX
 | | Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. | | Deposit date: | 2021-12-29 | | Release date: | 2023-01-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
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6X5X
 | | Crystal structure o BmooMP-I, a P-I metalloproteinase from Bothrops moojeni | | Descriptor: | CALCIUM ION, SULFATE ION, Snake venom metalloproteinase BmooMP-I, ... | | Authors: | Salvador, G.H.M, Borges, R.J, Fontes, M.R.M. | | Deposit date: | 2020-05-27 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Biochemical, pharmacological and structural characterization of BmooMP-I, a new P-I metalloproteinase from Bothrops moojeni venom.
Biochimie, 179, 2020
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5C0E
 | | HLA-A02 carrying YLGGPDFPTI | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Beta-2-microglobulin, ... | | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | | Deposit date: | 2015-06-12 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.491 Å) | | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
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6XL3
 | | Mastigocladopsis repens rhodopsin chloride pump | | Descriptor: | CHLORIDE ION, DECANE, Mastigocladopsis repens rhodopsin chloride pump, ... | | Authors: | Besaw, J.E, Ernst, O.P, Ou, W, Morizumi, T. | | Deposit date: | 2020-06-28 | | Release date: | 2020-07-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | The crystal structures of a chloride-pumping microbial rhodopsin and its proton-pumping mutant illuminate proton transfer determinants.
J.Biol.Chem., 295, 2020
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6XMK
 | | 1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 7j | | Descriptor: | (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-06-30 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
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7QQ7
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