6Y6L
 
 | | Structure the ananain protease from Ananas comosus with a thiomethylated catalytic cysteine | | Descriptor: | Ananain, GLYCEROL, SULFATE ION | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-02-26 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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6Y98
 | | Crystal Structure of subtype-switched Epithelial Adhesin 9 to 1 A domain (Epa9-CBL2Epa1) from Candida glabrata in complex with beta-lactose | | Descriptor: | CALCIUM ION, PA14 domain-containing protein, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Hoffmann, D, Diderrich, R, Kock, M, Friederichs, S, Reithofer, V, Essen, L.-O, Moesch, H.-U. | | Deposit date: | 2020-03-06 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Functional reprogramming ofCandida glabrataepithelial adhesins: the role of conserved and variable structural motifs in ligand binding.
J.Biol.Chem., 295, 2020
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6Y9F
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6Y9L
 | | Crystal structure of TSWV glycoprotein N ectodomain (sGn) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, ... | | Authors: | Dessau, M, Bahat, Y. | | Deposit date: | 2020-03-09 | | Release date: | 2020-09-30 | | Last modified: | 2021-04-14 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Crystal structure of tomato spotted wilt virus G N reveals a dimer complex formation and evolutionary link to animal-infecting viruses
Proc.Natl.Acad.Sci.USA, 117, 2020
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4OP0
 | | Crystal structure of biotin protein ligase (RV3279C) of Mycobacterium tuberculosis, complexed with biotinyl-5'-AMP | | Descriptor: | BIOTINYL-5-AMP, BirA bifunctional protein, SULFATE ION | | Authors: | Ma, Q, Wilmanns, M, Akhter, Y. | | Deposit date: | 2014-02-04 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Active site conformational changes upon reaction intermediate biotinyl-5'-AMP binding in biotin protein ligase from Mycobacterium tuberculosis.
Protein Sci., 23, 2014
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6YCB
 | | Structure the ananain protease from Ananas comosus covalently bound to with the E64 inhibitor | | Descriptor: | Ananain, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.257 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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6YFB
 | | Virus-like particle of bacteriophage AVE016 | | Descriptor: | coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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6Y5N
 | | RING-DTC domain of Deltex1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase DTX1, ... | | Authors: | Gabrielsen, M, Buetow, L, Huang, D.T. | | Deposit date: | 2020-02-25 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural insights into ADP-ribosylation of ubiquitin by Deltex family E3 ubiquitin ligases.
Sci Adv, 6, 2020
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6YJ1
 | | The M23 peptidase domain of the Staphylococcal phage 2638A endolysin | | Descriptor: | ORF007, ZINC ION | | Authors: | Dunne, M, Ernst, P, Sobieraj, A, Pluckthun, A, Loessner, M.J. | | Deposit date: | 2020-04-02 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | (CASP target) Crystal structure of the M23 peptidase domain of Staphylococcal phage 2638A endolysin
To Be Published
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4OXB
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6Y4O
 | | Calmodulin bound to cardiac ryanodine receptor (RyR2) calmodulin binding domain | | Descriptor: | CALCIUM ION, Calmodulin-2, Ryanodine receptor 2 | | Authors: | Lau, K, Nielsen, L.H, Holt, C, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Van Petegem, F, Overgaard, M.T, Wimmer, R. | | Deposit date: | 2020-02-21 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.83549082 Å) | | Cite: | The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
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6Y8L
 | | Mycobacterium thermoresistibile GyrB21 in complex with novobiocin | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN, ... | | Authors: | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | | Deposit date: | 2020-03-05 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
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6Y9J
 | | Crystal Structure of subtype-switched Epithelial Adhesin 1 to 9 A domain (Epa1-CBL2Epa9) from Candida glabrata in complex with beta-lactose | | Descriptor: | CALCIUM ION, CHLORIDE ION, Epa1p, ... | | Authors: | Hoffmann, D, Diderrich, R, Kock, M, Friederichs, S, Reithofer, V, Essen, L.-O, Moesch, H.-U. | | Deposit date: | 2020-03-09 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Functional reprogramming ofCandida glabrataepithelial adhesins: the role of conserved and variable structural motifs in ligand binding.
J.Biol.Chem., 295, 2020
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6YFE
 | | Virus-like particle of Beihai levi-like virus 19 | | Descriptor: | CALCIUM ION, coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.794 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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6YFO
 | | Virus-like particle of bacteriophage GQ-907 | | Descriptor: | coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.484 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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6YCE
 | | Structure the bromelain protease from Ananas comosus with a thiomethylated active cysteine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FBSB, ISOPROPYL ALCOHOL, ... | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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6YDU
 | | XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, reoxidized diferric state, 10s O2 exposure. | | Descriptor: | FE (III) ION, GLYCEROL, Methane monooxygenase, ... | | Authors: | Srinivas, V, Hogbom, M. | | Deposit date: | 2020-03-21 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States.
J. Am. Chem. Soc., 142, 2020
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6YEF
 | | 70S initiation complex with assigned rRNA modifications from Staphylococcus aureus | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S11, ... | | Authors: | Fatkhullin, B, Golubev, A, Khusainov, I, Yusupova, G, Yusupov, M. | | Deposit date: | 2020-03-24 | | Release date: | 2021-01-27 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the ribosome functional complex of the human pathogen Staphylococcus aureus at 3.2 angstrom resolution.
Febs Lett., 594, 2020
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6YFU
 | | Virus-like particle of Wenzhou levi-like virus 4 | | Descriptor: | coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.018 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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6YIM
 | | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand | | Descriptor: | (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide, CREBBP | | Authors: | Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P. | | Deposit date: | 2020-04-01 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
To Be Published
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3CDA
 | | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | | Descriptor: | (3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | | Deposit date: | 2008-02-26 | | Release date: | 2008-06-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
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6YMY
 | | Cytochrome c oxidase from Saccharomyces cerevisiae | | Descriptor: | (2R,5S,11R,14R)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, COPPER (II) ION, ... | | Authors: | Berndtsson, J, Rathore, S, Ott, M. | | Deposit date: | 2020-04-10 | | Release date: | 2020-09-09 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Respiratory supercomplexes enhance electron transport by decreasing cytochrome c diffusion distance.
Embo Rep., 21, 2020
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6YOA
 | | Lig v 1 structure and the inflammatory response to the Ole e 1 protein family | | Descriptor: | Major pollen allergen Lig v 1, NICKEL (II) ION | | Authors: | Robledo-Retana, T, Bradley-Clark, J, Croll, T, Rose, R, Stagg, A, Villalba, M, Pickersgill, R. | | Deposit date: | 2020-04-14 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Lig v 1 structure and the inflammatory response to the Ole e 1 protein family.
Allergy, 75, 2020
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6YQJ
 | | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium (soaked) | | Descriptor: | 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | | Deposit date: | 2020-04-17 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
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6YOL
 | | Meta-Nidocarborane propyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Meta-Nidocarborane propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
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